SCHEMBL4410107

SCHEMBL4410107

CCCn1c(=O)c2[nH]c(-c3ccc(OCC#Cc4ccc(F)cc4)cc3)nc2n(CCC)c1=O

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 16/20 0.71
ADORA2A P29274 7/20 0.66
ADORA3 P0DMS8 3/20 0.66
ADORA1 P30542 3/20 0.66

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
SCHEMBL1062599 0.92 ADORA2B (0.66) ADORA2BADORA2AADORA3ADORA1
SCHEMBL1059463 0.90 ADORA2B (0.72) ADORA2BADORA2AADORA3ADORA1
SCHEMBL1065676 0.90 ADORA2B (0.68) ADORA2BADORA2AADORA3ADORA1
SCHEMBL4405225 0.89 ADORA2B (0.74) ADORA2BADORA2AADORA3ADORA1
SCHEMBL1063722 0.89 ADORA2B (0.72) ADORA2BADORA2AADORA3ADORA1
SCHEMBL1083117 0.84 ADORA2B (0.71) ADORA2BADORA2AADORA3ADORA1
SCHEMBL15988256 0.83 ADORA2B (0.72) ADORA2BADORA2AADORA3ADORA1
SCHEMBL1066278 0.83 ADORA2B (1.00) ADORA2BADORA3ADORA1
SCHEMBL1066682 0.83 ADORA2B (0.73) ADORA2BADORA2AADORA3ADORA1
SCHEMBL4406357 0.83 ADORA2B (0.72) ADORA2BADORA2AADORA3ADORA1

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 1/4885ADORA3 2/4885

“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.