SCHEMBL1497233

SCHEMBL1497233

COCCc1ccc(-c2nc3c([nH]2)c(=O)[nH]c(=O)n3C)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 3/20 0.47
ADORA2A P29274 11/20 0.42
ADORA2B P29275 9/20 0.42
MAPT P10636 2/20 0.41
ADORA1 P30542 4/20 0.40
ADORA3 P0DMS8 3/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1497239 0.79 ALDH1A1 (0.49) KDM4EKMT2ASMN1; SMN2ALDH1A1GLA
SCHEMBL27667909 0.78 ADORA2B (0.46) ADORA2AADORA2BADORA1ADORA3
SCHEMBL6889649 0.72 ADORA2B (0.69) KDM4EKMT2ASMN1; SMN2ALDH1A1GLA
SCHEMBL6473698 0.67 ADORA2B (0.52) KDM4EKMT2ASMN1; SMN2ALDH1A1GLA
SCHEMBL3479031 0.67 ADORA2B (0.67) KDM4EKMT2AALDH1A1HSD17B10ADORA2A
SCHEMBL1497265 0.66 ALDH1A1 (0.44) KDM4EKMT2ASMN1; SMN2ALDH1A1GLA
SCHEMBL22105782 0.66 ADORA2B (0.54) KDM4EALDH1A1HSD17B10ADORA2AADORA2B
SCHEMBL23565377 0.65 GAA (0.85) KDM4EKMT2ASMN1; SMN2ALDH1A1GLA
SCHEMBL1944674 0.65 ADORA2B (0.74) ADORA2AADORA2BADORA1ADORA3
SCHEMBL19012232 0.65 DAO (0.50) KDM4EKMT2ASMN1; SMN2ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342006-B2 Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS, LLC (US) 2008-03-11 US claimed
EP-1658291-A2 SUBSTITUTED 8-HETEROARYL XANTHINES Adenosine Therapeutics, LLC (US) 2006-05-24 EP claimed
US-20050065341-A1 Substituted 8-heteroaryl xanthines ALLERGAN SALES, LLC 2005-03-24 US claimed
WO-2005021548-A2 SUBSTITUTED 8-HETEROARYL XANTHINES ADENOSINE THERAPEUTICS, LLC (US) 2005-03-10 WO claimed
EP-2295434-B1 Substituted 8-heteroaryl xanthines DOGWOOD PHARMACEUTICALS INC (US) 2015-09-30 EP disclosed
EP-1658291-B1 SUBSTITUTED 8-HETEROARYL XANTHINES DOGWOOD PHARMACEUTICALS INC (US) 2013-10-02 EP disclosed
EP-2295434-A2 Substituted 8-heteroaryl xanthines Adenosine Therapeutics, LLC (US) 2011-03-16 EP disclosed
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES PGXHEALTH, LLC (US) 2010-10-28 US disclosed
US-7732455-B2 Substituted 8-heteroaryl xanthines PGX HEALTH, LLC (US) 2010-06-08 US disclosed
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ALLERGAN SALES, LLC 2008-08-21 US disclosed
US-7342006-B2 Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS, LLC (US) 2008-03-11 US disclosed
EP-1658291-A2 SUBSTITUTED 8-HETEROARYL XANTHINES Adenosine Therapeutics, LLC (US) 2006-05-24 EP disclosed
US-20050065341-A1 Substituted 8-heteroaryl xanthines ALLERGAN SALES, LLC 2005-03-24 US disclosed
WO-2005021548-A2 SUBSTITUTED 8-HETEROARYL XANTHINES ADENOSINE THERAPEUTICS, LLC (US) 2005-03-10 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 (3 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-20080200456-A1 Substituted 8-Heteroaryl Xanthines ADORA2B, ADORA2A, ADORA3 KDM4E 3207/4885KMT2A 1888/4885SMN1; SMN2 3702/4885
US-20050065341-A1 Substituted 8-heteroaryl xanthines ADORA2B, ADORA2A, ADORA3 KDM4E 3207/4885KMT2A 1888/4885SMN1; SMN2 3702/4885
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES ADORA2B, ADORA2A, ADORA3 KDM4E 3207/4885KMT2A 1888/4885SMN1; SMN2 3702/4885

“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.