SCHEMBL839368

SCHEMBL839368

CCCn1c(=O)c2c(nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)n2COC(=O)N(C)CCN(C)C)n(CC)c1=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.57
ADORA2A P29274 17/20 0.57
ADORA1 P30542 16/20 0.57
ADORA3 P0DMS8 11/20 0.57
PLK4 O00444 1/20 0.57
CDK2 P24941 1/20 0.57
IRAK1 P51617 1/20 0.57
RPS6KA3 P51812 1/20 0.57
PLK3 Q9H4B4 1/20 0.57
CSNK1G3 Q9Y6M4 1/20 0.57

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
SCHEMBL838239 0.90 ADORA2B (0.62) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL838144 0.90 ADORA2B (0.57) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL242945 0.89 ADORA2B (0.62) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL839349 0.88 ADORA2B (0.61) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL839622 0.88 ADORA2B (0.61) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL29403125 0.88 ADORA2B (0.61) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL241951 0.88 ADORA2B (0.61) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL238938 0.88 ADORA2B (0.61) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL839135 0.87 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL797120 0.87 ADORA2B (0.47) ADORA2BADORA2AADORA1ADORA3PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143249-B2 Prodrugs of A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20110160162-A1 PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-06-30 US disclosed
EP-2301937-A1 Prodrugs of A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2011-03-30 EP disclosed
US-20100056538-A1 Pro-drugs of A2B Adenosine Receptor Antagonists GILEAD PALO ALTO, INC. (US) 2010-03-04 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-20110160162-A1 PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA1 3/4885
US-20100056538-A1 Pro-drugs of A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA1 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.