SCHEMBL4406330

SCHEMBL4406330

CCCn1c(=O)c2[nH]c(-c3cnn(C(c4cccc(C(F)(F)F)c4)C4CNC(=O)C4)c3)nc2n(CCN2C(=O)c3ccccc3C2=O)c1=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.58
ADORA1 P30542 9/20 0.54
ADORA3 P0DMS8 7/20 0.54
ADORA2A P29274 7/20 0.54
PLK4 O00444 1/20 0.52
CDK2 P24941 1/20 0.52
IRAK1 P51617 1/20 0.52
RPS6KA3 P51812 1/20 0.52
PLK3 Q9H4B4 1/20 0.52
CSNK1G3 Q9Y6M4 1/20 0.52

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
SCHEMBL1082117 0.95 ADORA2B (0.53) ADORA2BADORA1ADORA3ADORA2APLK4
SCHEMBL1064680 0.94 ADORA2B (0.64) ADORA2BADORA1ADORA3ADORA2APLK4
SCHEMBL4408541 0.92 ADORA2B (0.62) ADORA2BADORA1ADORA3ADORA2APLK4
SCHEMBL1065977 0.91 ADORA2B (0.60) ADORA2BADORA1ADORA3ADORA2APLK4
SCHEMBL1065691 0.86 ADORA2B (0.60) ADORA2BADORA1ADORA3ADORA2APLK4
SCHEMBL1065695 0.85 ADORA2B (0.58) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4405238 0.84 ADORA2B (0.58) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL1065954 0.84 ADORA2B (0.59) ADORA2BADORA1ADORA3ADORA2APLK4
SCHEMBL4407382 0.84 ADORA2B (0.59) ADORA2BADORA1ADORA3ADORA2APLK4
SCHEMBL1064628 0.83 ADORA2B (0.62) ADORA2BADORA1ADORA3ADORA2APLK4

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 3 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 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 4/4885ADORA1 3/4885ADORA3 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.