SCHEMBL4397341

SCHEMBL4397341

CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(C)cc4)c3)nc2n(CC)c1=O

nearest known ligand 0.95

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.95
ADORA2A P29274 1/20 0.69
ADORA1 P30542 1/20 0.69

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
SCHEMBL1062750 0.97 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL4405247 0.92 ADORA2B (1.00) ADORA2B
SCHEMBL4399842 0.91 ADORA2B (1.00) ADORA2B
SCHEMBL1065915 0.91 ADORA2B (0.83) ADORA2BADORA2AADORA1
SCHEMBL4399522 0.90 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL1065484 0.90 ADORA2B (1.00) ADORA2B
SCHEMBL4406099 0.90 ADORA2B (0.95) ADORA2BADORA2AADORA1
SCHEMBL1061394 0.90 ADORA2B (0.85) ADORA2BADORA2AADORA1
SCHEMBL1064296 0.90 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL1065633 0.88 ADORA2B (0.80) ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268641-B1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT LTD (IN) 2014-09-03 EP claimed
US-8252797-B2 Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT. LTD. (IN) 2012-08-28 US claimed
US-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD. (IN) 2009-12-03 US claimed
EP-2268641-B1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT LTD (IN) 2014-09-03 EP disclosed
US-8252797-B2 Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT. LTD. (IN) 2012-08-28 US disclosed
US-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD. (IN) 2009-12-03 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 (1 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-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA1 ADORA2B 4/4885ADORA2A 1/4885ADORA1 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.