SCHEMBL273448

SCHEMBL273448

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OS)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.79
NT5E P21589 1/20 0.74
KRAS P01116 5/20 0.74
FUT5 Q11128 1/20 0.73
P2RX3 P56373 3/20 0.69
P2RY2 P41231 3/20 0.67
P2RY6 Q15077 2/20 0.67
P2RY4 P51582 1/20 0.67
DCPS Q96C86 1/20 0.63
P2RY1 P47900 4/20 0.62
P2RX1 P51575 2/20 0.62
P2RX4 Q99571 2/20 0.62
SRC P12931 1/20 0.62
P2RX2 Q9UBL9 1/20 0.62
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HINT1 P49773 1/20 0.61
ENPP1 P22413 1/20 0.61
P2RY11 Q96G91 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18769114 0.96 TGM2 (0.85) TGM2NT5EKRASFUT5P2RX3
SCHEMBL21067722 0.96 TGM2 (0.85) TGM2NT5EKRASFUT5P2RX3
SCHEMBL29429843 0.96 TGM2 (0.85) TGM2NT5EKRASFUT5P2RX3
SCHEMBL851357 0.96 TGM2 (0.85) TGM2NT5EKRASFUT5P2RX3
SCHEMBL25430382 0.94 TGM2 (0.80) TGM2NT5EKRASFUT5P2RX3
SCHEMBL6692026 0.94 TGM2 (0.80) TGM2NT5EKRASFUT5P2RX3
SCHEMBL376139 0.93 TGM2 (0.81) TGM2NT5EKRASFUT5P2RX3
Gtp SCHEMBL5809658 0.93 TGM2 (0.81) TGM2NT5EKRASFUT5P2RX3
Gtp SCHEMBL3333959 0.93 TGM2 (0.81) TGM2NT5EKRASFUT5P2RX3
SCHEMBL2593095 0.93 TGM2 (0.81) TGM2NT5EKRASFUT5P2RX3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 155 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2021-01-28 US disclosed
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-11-17 US disclosed
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2020-05-28 US disclosed
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-03-17 US disclosed
US-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-10-03 US disclosed
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2019-07-23 US disclosed
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-02-14 US disclosed
US-10138220-B1 Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2018-11-27 US disclosed
US-9975875-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2018-05-22 US disclosed
US-20170362200-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity Theravance Respiratory Compa, LLC 2017-12-21 US disclosed
WO-2005051946-A2 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2005-06-09 WO disclosed
US-20050113417-A1 Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE BIOPHARMA R&D IP, LLC 2005-05-26 US disclosed
WO-2004106333-A1 AZABICYCLOALKANE COMPOUNDS AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2004-12-09 WO disclosed
US-20040242622-A1 Azabicycloalkane compounds THERAVANCE BIOPHARMA R&D IP, LLC 2004-12-02 US disclosed
US-20040209915-A1 substituted with an N- (p-hydroxy-alpha-hydroxybenzylaminoalkylpiperidinyloxy- (or -amino-)carbonylamino group; useful for identifying compounds having both beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE RESPIRATORY COMPANY, LLC 2004-10-21 US disclosed
US-20040209860-A1 compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation THERAVANCE RESPIRATORY COMPANY, LLC 2004-10-21 US disclosed
WO-2004074812-A2 LIBRARY OF BIPHENYL DERIVATIVES USEFUL FOR IDENTIFYING COMPOUNDS HAVING BOTH BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC (US) 2004-09-02 WO disclosed
WO-2004074276-A1 BIPHENYL DERIVATIVES HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC. (US) 2004-09-02 WO disclosed
WO-2004074246-A2 BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC. (US) 2004-09-02 WO disclosed
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma THERAVANCE BIOPHARMA R&D IP, LLC 2004-08-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B TGM2 3871/4885NT5E 1965/4885KRAS 757/4885
US-10138220-B1 Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A TGM2 4043/4885NT5E 1603/4885KRAS 705/4885
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A TGM2 3706/4885NT5E 1715/4885KRAS 794/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B TGM2 3667/4885NT5E 2520/4885KRAS 905/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B TGM2 3871/4885NT5E 1965/4885KRAS 757/4885
US-20040242622-A1 Azabicycloalkane compounds ADRB1, ADRB2, ADRA1B TGM2 3760/4885NT5E 1482/4885KRAS 430/4885
US-20040209915-A1 substituted with an N- (p-hydroxy-alpha-hydroxybenzylaminoalkylpiperidinyloxy- (or -amino-)carbonylamino group; useful for identifying compounds having both beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity ADRB1, ADRB2, ADRA2B TGM2 4341/4885NT5E 1956/4885KRAS 947/4885
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma ADRB1, ADRB2, ADRA2B TGM2 4678/4885NT5E 884/4885KRAS 1435/4885
US-20050113417-A1 Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity ADRA2B, ADRB2, ADRB1 TGM2 4279/4885NT5E 3279/4885KRAS 689/4885
US-20170362200-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2A TGM2 3722/4885NT5E 1618/4885KRAS 839/4885
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B TGM2 3863/4885NT5E 1860/4885KRAS 679/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B TGM2 3871/4885NT5E 1965/4885KRAS 757/4885
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A TGM2 3840/4885NT5E 1779/4885KRAS 741/4885
US-20040209860-A1 compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation ADRA2C, ADRB2, AHR TGM2 3289/4885NT5E 417/4885KRAS 3009/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.