SCHEMBL362165

SCHEMBL362165

Cc1cn2c(Cl)c(-c3ccccc3)c(Cl)nc2n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.50
ADORA2A P29274 4/20 0.50
ADORA1 P30542 1/20 0.42
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL361737 0.73 KDM4E (0.44) ADORA2AALDH1A1KDM4EHPGD
SCHEMBL361527 0.73 MAPT (0.38) ALDH1A1KDM4EMAPTHPGDNPSR1
SCHEMBL362078 0.72 ADORA3 (0.54) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL361884 0.70 AKT1 (0.41) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL31504610 0.69 L3MBTL1 (0.54) ADORA2AALDH1A1KDM4EMAPTHPGD
SCHEMBL5444652 0.69 CDK4 (0.49) ADORA2AALDH1A1KDM4EMAPTHPGD
SCHEMBL2970268 0.69 ADORA2A (0.41) ADORA2AALDH1A1KDM4EMAPTHPGD
SCHEMBL2979524 0.68 MAPT (0.42) ALDH1A1KDM4EMAPTHPGDNPSR1
SCHEMBL2971343 0.68 RAB9A (0.47) ALDH1A1KDM4EMAPTHPGDHTT
SCHEMBL868326 0.67 KDM4E (0.49) ALDH1A1KDM4EMAPTHPGDLMNA

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
EP-2396330-B1 FUSED PYRIMIDINES BAYER IP GMBH (DE) 2016-04-06 EP disclosed
US-8957064-B2 Fused pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-17 US disclosed
US-20130317002-A1 FUSED PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 US disclosed
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
EP-2593458-A1 BICYCLIC PYRIMIDINES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed
EP-2396330-A1 FUSED PYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2011-12-21 EP disclosed
WO-2010091808-A1 FUSED PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 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 (2 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-20130184273-A1 BICYCLIC PYRIMIDINES PIK3CA, TYMS, PIK3CD ADORA3 772/4885ADORA2A 586/4885ADORA1 733/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS ADORA3 344/4885ADORA2A 499/4885ADORA1 208/4885

“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.