SCHEMBL362078

SCHEMBL362078

Cc1cn2c(O)c(-c3ccccc3)c(O)nc2n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.54
ADORA2A P29274 5/20 0.54
ADORA1 P30542 1/20 0.45
ALOX5 P09917 2/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
KLK7 P49862 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
SCHEMBL360770 0.73 MAPT (0.41) ALOX5KDM4EALDH1A1MAPTHPGD
SCHEMBL362165 0.72 ADORA3 (0.50) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL3711518 0.68 L3MBTL1 (0.52) ALOX5KDM4EALDH1A1MAPTHPGD
SCHEMBL2964886 0.68 NPC1 (0.47) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL2978903 0.68 MAPT (0.42) ADORA2AALOX5KDM4EALDH1A1MAPT
SCHEMBL2979080 0.67 MAPT (0.48) ALOX5KDM4EALDH1A1MAPTHPGD
SCHEMBL868954 0.67 KDM4E (0.49) KDM4EALDH1A1MAPTHPGD
SCHEMBL2970170 0.66 PTGS1 (0.36) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL2964669 0.66 KDM4E (0.49) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL12920756 0.64 ADORA3 (0.48) ADORA3ADORA2AADORA1KDM4EALDH1A1

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 7 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-20140343089-A1 NOREPINEPHRINE AND SELECTIVE SEROTONIN RECEPTOR BLOCKER AND USE THEREOF HARBIN PHARMACEUTICAL CO., LTD. (CN) 2014-11-20 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-20140343089-A1 NOREPINEPHRINE AND SELECTIVE SEROTONIN RECEPTOR BLOCKER AND USE THEREOF ADRB1, ADRA2B, ADRB3 ADORA3 129/4885ADORA2A 179/4885ADORA1 113/4885

“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.