SCHEMBL4875493

SCHEMBL4875493

c1cnc(-c2ncc3[nH]cnc3n2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.53
CDK2 P24941 2/20 0.46
RXFP1 Q9HBX9 1/20 0.42
PAK1 Q13153 1/20 0.41
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
POLA1 P09884 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL29452971 0.90 ALDH1A1 (0.63) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL4924100 0.81 KDM4E (0.48) ALDH1A1KDM4ECDK2HSD17B10
SCHEMBL27809463 0.80 ALDH1A1 (0.49) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL680856 0.78 CDK2 (0.55) ALDH1A1KDM4ECDK2RXFP1ADORA2A
SCHEMBL28833452 0.77 ALDH1A1 (0.50) ALDH1A1KDM4ECDK2RXFP1PAK1
Hydrochloric Acid SCHEMBL4456682 0.77 CDK2 (0.54) ALDH1A1KDM4ECDK2RXFP1ADORA2A
SCHEMBL6385068 0.76 QPCT (0.50) ALDH1A1KDM4ECDK2ADORA2AADORA3
SCHEMBL9990576 0.74 ALDH1A1 (0.46) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL29906262 0.74 ALDH1A1 (0.54) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL5425282 0.74 ADORA2A (0.49) ALDH1A1KDM4ECDK2RXFP1PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118957041-A Method for determining polymer sequences 牛津纳米孔科技公开有限公司 2024-11-15 CN disclosed
CN-118773294-A Analysis method, analysis system and nanopore measurement and analysis system 牛津楠路珀尔科技股份有限公司 2024-10-15 CN disclosed
CN-112703256-B Method for determining polymer sequences 牛津纳米孔科技公开有限公司 2024-09-03 CN disclosed
CN-110546655-B Machine learning analysis of nanopore measurements 牛津楠路珀尔科技股份有限公司 2024-07-02 CN disclosed
CN-109475593-A COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE 豪夫迈·罗氏有限公司 2019-03-15 CN disclosed
US-7449470-B2 Substituted pyrimidines as ligands of adenosine receptors UNIVERSITEIT LEIDEN (NL) 2008-11-11 US disclosed
US-20070032510-A1 Substituted pyrimidines as ligands of adenosine receptors UNIVERSITEIT LEIDEN (NL) 2007-02-08 US disclosed
CN-1837231-A Immunomodulatory steroids, in particular the hemihydrate of 16, alpha-bromoepiandrosterone HOLLIS EDEN PHARMACEUTICALS (US) 2006-09-27 CN disclosed
EP-1667985-A1 SUBSTITUTED PYRIMIDINES AS LIGANDS OF ADENOSINE RECEPTORS Universiteit Leiden (NL) 2006-06-14 EP disclosed
CN-1243767-C Immunomodulatory steroids, in particular hemihydrate of 16 alpha-bromoepiandrosterone HOLLIS EDEN PHARMACEUTICALS (US) 2006-03-01 CN disclosed
WO-2005033084-A1 SUBSTITUTED PYRIMIDINES AS LIGANDS OF ADENOSINE RECEPTORS UNIVERSITEIT LEIDEN (NL) 2005-04-14 WO disclosed
CN-1355809-A Immunomodulatory steroids, in particular hemihydrate of 16 alpha-bromoepiandrosterone HOLLIS EDEN PHARMACEUTICALS (US) 2002-06-26 CN 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-20070032510-A1 Substituted pyrimidines as ligands of adenosine receptors ADORA2A, ADORA3, ADORA1 ALDH1A1 852/4885KDM4E 4307/4885CDK2 3175/4885

“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.