SCHEMBL14922261

SCHEMBL14922261

COCCOCCOc1ccc(N2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.59
HTR3E A5X5Y0 2/20 0.59
HTR3B O95264 2/20 0.59
HTR3A P46098 2/20 0.59
HTR3D Q70Z44 2/20 0.59
HTR3C Q8WXA8 2/20 0.59
SIGMAR1 Q99720 2/20 0.59
CHRNB2 P17787 1/20 0.57
CHRNA4 P43681 1/20 0.57
LTA4H P09960 4/20 0.49
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TGFBR1 P36897 1/20 0.43
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL872363 0.95 ADRB1 (0.65) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL22638136 0.94 ADRB1 (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL23355832 0.94 ADRB1 (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL20907431 0.90 CHRNB2 (0.70) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7083865 0.87 ADRB1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6132814 0.87 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL29749541 0.85 ADRB1 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14922311 0.84 HRH3 (0.56) HTR1AHTR1DHTR1BLMNAMAPT
SCHEMBL26993128 0.82 ADRB1 (0.48) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL17455228 0.81 ADRB1 (0.67) ADRB1HTR3EHTR3BHTR3AHTR3D

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110742893-B Methods of treating cancer with A2A receptor antagonists 百济神州(北京)生物科技有限公司 2024-04-05 CN disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
CN-112469722-A Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2021-03-09 CN disclosed
CN-110742893-A Methods of treating cancer with A2A receptor antagonists 百济神州(北京)生物科技有限公司 2020-02-04 CN disclosed
WO-2020020097-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2020-01-30 WO disclosed
US-RE44205-E1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-RE44205-E1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 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 (1 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-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B ADRB1 51/4885HTR3E 67/4885HTR3B 36/4885

“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.