SCHEMBL2686167

SCHEMBL2686167

CCCn1c(=O)[nH]c2nc(-c3ccc(Cl)nc3)[nH]c2c1=O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.68
ADORA3 P0DMS8 7/20 0.68
ADORA2A P29274 3/20 0.67
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
GLA P06280 1/20 0.63
CYP2D6 P10635 1/20 0.63
HPGD P15428 1/20 0.63
ALOX15 P16050 1/20 0.63
TSHR P16473 1/20 0.63
CYP2C19 P33261 1/20 0.63
KMT2A Q03164 1/20 0.63
HSD17B10 Q99714 1/20 0.63
ADORA1 P30542 2/20 0.61

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
SCHEMBL6473694 0.89 ADORA2B (0.56) ADORA2BADORA3ADORA2AKDM4EMEN1
SCHEMBL1001096 0.83 ADORA2B (0.67) ADORA2BADORA3ADORA2AKDM4EMEN1
SCHEMBL2687515 0.82 ADORA2B (0.46) ADORA2BADORA3ADORA2AKDM4EMEN1
SCHEMBL3479031 0.82 ADORA2B (0.67) ADORA2BADORA3ADORA2AKDM4EMEN1
SCHEMBL29494961 0.81 ADORA2B (1.00) ADORA2BADORA3ADORA2AKDM4EMEN1
SCHEMBL1948396 0.78 ADORA2B (0.69) ADORA2BADORA3ADORA2AKDM4EMEN1
SCHEMBL1223271 0.77 ADORA2B (1.00) ADORA2BADORA3ADORA2AKDM4EMEN1
SCHEMBL24787659 0.77 ADORA2B (0.63) ADORA2BADORA3ADORA2AKDM4EMEN1
SCHEMBL12094031 0.77 ADORA2B (0.53) ADORA2BADORA3ADORA2AKDM4EMEN1
SCHEMBL24786705 0.77 ADORA2B (0.63) ADORA2BADORA3ADORA2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284316-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2016-03-15 US disclosed
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2015-03-26 US disclosed
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2015-03-26 US disclosed
US-8859566-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2014-10-14 US disclosed
US-8859566-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2014-10-14 US disclosed
EP-2405917-B1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2014-04-23 EP disclosed
EP-2405917-B1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2014-04-23 EP disclosed
US-20120115864-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS LIMITED (IN) 2012-05-10 US disclosed
US-20120115864-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS LIMITED (IN) 2012-05-10 US disclosed
WO-2010103547-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-09-16 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-20120115864-A1 Substituted Fused Pyrimidine Compounds ADORA2A, ADORA1, ADORA3 ADORA2B 4/4885ADORA3 3/4885ADORA2A 1/4885
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADORA2A, ADORA1, ADORA3 ADORA2B 4/4885ADORA3 3/4885ADORA2A 1/4885

“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.