SCHEMBL612958

SCHEMBL612958

COCCN1CCNC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.45
ADORA2B P29275 2/20 0.45
ADORA1 P30542 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
KMT2A Q03164 3/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 6/20 0.41
POLB P06746 3/20 0.41
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
SCN9A Q15858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGDS O60760 1/20 0.38

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
SCHEMBL16061716 0.89 KMT2A (0.42) ADORA2AADORA2BADORA1ADORA3KMT2A
SCHEMBL20929202 0.89 SMN1; SMN2 (0.46) ADORA2AADORA2BADORA1ADORA3KMT2A
SCHEMBL12939971 0.83 ADORA2A (0.38) ADORA2AADORA2BADORA1ADORA3KMT2A
SCHEMBL6254128 0.81 KMT2A (0.39) ADORA2AADORA2BADORA1ADORA3KMT2A
SCHEMBL13236669 0.80 ALDH1A1 (0.50) KMT2ARAB9AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5415665 0.80 ALDH1A1 (0.41) KMT2ARAB9AMEN1SMN1; SMN2ALDH1A1
SCHEMBL94299 0.79 ALDH1A1 (0.38) KMT2ARAB9AMEN1SMN1; SMN2ALDH1A1
SCHEMBL19317540 0.79 KMT2A (0.38) KMT2ARAB9AMEN1SMN1; SMN2ALDH1A1
SCHEMBL12872462 0.79 KMT2A (0.38) ADORA2AADORA2BADORA1KMT2ARAB9A
SCHEMBL3720969 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731956-B2 Substituted 1,2,4-triazoles as intermediates in the synthesis of TYK2 inhibitors ALUMIS INC. (US) 2023-08-22 US disclosed
US-11731956-B2 Substituted 1,2,4-triazoles as intermediates in the synthesis of TYK2 inhibitors ALUMIS INC. (US) 2023-08-22 US disclosed
US-20230021554-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2023-01-26 US disclosed
US-20230023761-A1 SUBSTITUTED PYRIDINES AS TYK2 INHIBITORS ALUMIS INC. 2023-01-26 US disclosed
US-11053219-B2 Substituted pyridines as TYK2 inhibitors ESKER THERAPEUTICS, INC. (US) 2021-07-06 US disclosed
WO-2021127499-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2021-06-24 WO disclosed
US-20200354338-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2020-11-12 US disclosed
CN-107207903-B Composition for forming underlayer and method for forming underlayer using the same AZ电子材料(卢森堡)有限公司 2020-08-14 CN disclosed
CN-107207903-A Method for forming the composition of bottom and bottom being formed using it AZ电子材料(卢森堡)有限公司 2017-09-26 CN disclosed
US-20170252317-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA, INC. 2017-09-07 US disclosed
US-20140023643-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA, INC. (US) 2014-01-23 US disclosed
WO-2013107761-A1 SUBSTITUTED TRIAZOLES AND THEIR USE FOR TREATMENT AND/OR PREVENTION NEUROLOGICAL AND PSYCHIATRIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-25 WO disclosed
US-20120041195-A1 Heterocyclic compounds FOVEA PHARMACEUTICALS 2012-02-16 US disclosed
US-20110034689-A1 N4-Phenyl-Quinazoline-4-Amine Derivatives and Related Compounds as ErbB Type I Receptor Tyrosine Kinase Inhibitors for the Treatment of Hyperproliferative Diseases ARRAY BIOPHARMA, INC. 2011-02-10 US disclosed
EP-1264212-B1 ELEMENTS FOR FORMING PRINT-OUT IMAGES DU PONT (US) 2009-02-18 EP disclosed
US-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists CONNOLLY TERRENCE J 2007-11-15 US disclosed
US-6869755-B2 Elements for forming print-out images E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-22 US disclosed
EP-1264212-A2 ELEMENTS FOR FORMING PRINT-OUT IMAGES E. I. du Pont de Nemours and Company (US) 2002-12-11 EP disclosed
US-20020146649-A1 Elements for forming print-out images E. I. DU PONT DE NEMOURS AND COMPANY 2002-10-10 US disclosed
WO-2001067175-A2 ELEMENTS FOR FORMING PRINT-OUT IMAGES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2001-09-13 WO 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 (10 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-11053219-B2 Substituted pyridines as TYK2 inhibitors TYK2, JAK1, PDXK ADORA2A 3352/4885ADORA2B 3460/4885ADORA1 3825/4885
US-20230021554-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 ADORA2A 3674/4885ADORA2B 4057/4885ADORA1 4480/4885
US-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B ADORA2A 117/4885ADORA2B 66/4885ADORA1 40/4885
US-20140023643-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ERBB4, ERBB2, ERBB3 ADORA2A 1281/4885ADORA2B 1588/4885ADORA1 973/4885
US-20230023761-A1 SUBSTITUTED PYRIDINES AS TYK2 INHIBITORS TYK2, JAK1, PDXK ADORA2A 3433/4885ADORA2B 3896/4885ADORA1 3925/4885
US-20110034689-A1 N4-Phenyl-Quinazoline-4-Amine Derivatives and Related Compounds as ErbB Type I Receptor Tyrosine Kinase Inhibitors for the Treatment of Hyperproliferative Diseases ERBB4, ERBB2, ERBB3 ADORA2A 1281/4885ADORA2B 1588/4885ADORA1 973/4885
US-20200354338-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 ADORA2A 3674/4885ADORA2B 4057/4885ADORA1 4480/4885
US-20120041195-A1 Heterocyclic compounds MAP3K1, MAP3K5, MAP3K2 ADORA2A 1610/4885ADORA2B 2969/4885ADORA1 3267/4885
US-20170252317-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ERBB4, ERBB2, ERBB3 ADORA2A 1281/4885ADORA2B 1588/4885ADORA1 973/4885
US-11731956-B2 Substituted 1,2,4-triazoles as intermediates in the synthesis of TYK2 inhibitors TYK2, JAK1, JAK3 ADORA2A 2458/4885ADORA2B 2712/4885ADORA1 3317/4885

“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.