SCHEMBL13859342

SCHEMBL13859342

COc1ccc(NC(=O)/C(C#N)=C\C2CC2)cc1Nc1nccc(Nc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.49
▸ MAP4K1 Q92918 1/20 0.47
▸ AURKA O14965 7/20 0.47
▸ PRKCA P17252 1/20 0.45
▸ AURKB Q96GD4 3/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ JAK3 P52333 1/20 0.41

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
SCHEMBL13859343 1.00 EGFR (0.49) EGFRMAP4K1AURKAPRKCAAURKB
SCHEMBL13859351 0.89 PRKCA (0.57) EGFRPRKCAJAK3
SCHEMBL13859353 0.89 PRKCA (0.57) EGFRPRKCAJAK3
SCHEMBL13859531 0.87 EGFR (0.51) EGFRPRKCAJAK3
SCHEMBL13859529 0.87 EGFR (0.51) EGFRPRKCAJAK3
SCHEMBL13859468 0.87 EGFR (0.47) EGFRAURKAPRKCAJAK3
SCHEMBL13859470 0.87 EGFR (0.47) EGFRAURKAPRKCAJAK3
SCHEMBL13859528 0.85 AURKA (0.50) EGFRAURKAAURKBJAK3
SCHEMBL13859526 0.85 AURKA (0.50) EGFRAURKAAURKBJAK3
SCHEMBL16194697 0.85 EGFR (0.51) EGFRAURKA

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-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 — — US disclosed
US-20140323464-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-30 — — US disclosed
EP-2710007-A2 KINASE INHIBITORS The Regents of the University of California (US) 2014-03-26 — — EP disclosed
WO-2012158843-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 — — WO 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-20140323464-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 EGFR 432/4885MAP4K1 20/4885AURKA 101/4885

“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.

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