SCHEMBL5541331

SCHEMBL5541331

CCCn1c(=O)[nH]c(N)c(NC(=O)c2cnn(Cc3ccc(C(F)(F)F)c(F)c3)c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 14/20 0.45
ADORA2A P29274 8/20 0.43
ADORA3 P0DMS8 8/20 0.43
ADORA1 P30542 9/20 0.42
KLKB1 P03952 3/20 0.41
PLK4 O00444 1/20 0.37
CDK2 P24941 1/20 0.37
IRAK1 P51617 1/20 0.37
RPS6KA3 P51812 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
CSNK1G3 Q9Y6M4 1/20 0.37
BTK Q06187 2/20 0.37

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
SCHEMBL30495481 0.87 ADORA2B (0.58) ADORA2BADORA2AADORA3ADORA1PLK4
SCHEMBL796431 0.87 ADORA2B (0.58) ADORA2BADORA2AADORA3ADORA1PLK4
SCHEMBL1728530 0.87 ADORA2B (0.42) ADORA2BADORA2AADORA3ADORA1KLKB1
SCHEMBL1546641 0.86 ADORA2B (0.56) ADORA2BADORA2AADORA3ADORA1KLKB1
SCHEMBL1546784 0.86 ADORA2B (0.41) ADORA2BADORA2AADORA3ADORA1KLKB1
SCHEMBL1723697 0.84 ADORA2B (0.52) ADORA2BADORA2AADORA3ADORA1KLKB1
SCHEMBL8979404 0.84 ADORA2B (0.49) ADORA2BADORA2AADORA3ADORA1KLKB1
SCHEMBL1546781 0.81 KLKB1 (0.52) ADORA2BADORA2AADORA3ADORA1KLKB1
SCHEMBL1546106 0.77 ADORA2B (0.58) ADORA2BADORA2AADORA3ADORA1PLK4
SCHEMBL5584758 0.76 ROCK1 (0.39) ADORA2BADORA2AADORA3

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
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
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

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 4/4885ADORA2A 1/4885ADORA3 3/4885
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADORA2A, ADORA1, ADORA3 ADORA2B 4/4885ADORA2A 1/4885ADORA3 3/4885

“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.