SCHEMBL1532353

SCHEMBL1532353

Cc1cc(Nc2cc(Cl)nc(Sc3ccc(NC(=O)O)cc3)n2)[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 18/20 0.53
AURKA O14965 15/20 0.53
SRC P12931 3/20 0.46
GSK3B P49841 3/20 0.46
AURKC Q9UQB9 1/20 0.46

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
SCHEMBL1078617 0.90 AURKB (0.64) AURKBAURKASRCGSK3B
SCHEMBL648099 0.88 AURKA (0.58) AURKBAURKASRCGSK3BAURKC
SCHEMBL1816236 0.88 AURKB (0.55) AURKBAURKASRCGSK3BAURKC
SCHEMBL62264 0.86 AURKA (0.55) AURKBAURKASRCGSK3BAURKC
SCHEMBL1056600 0.86 AURKB (0.48) AURKBAURKASRCGSK3BAURKC
SCHEMBL1299976 0.86 AURKB (0.51) AURKBAURKASRCGSK3B
SCHEMBL3324241 0.86 AURKA (0.44) AURKBAURKASRCGSK3BAURKC
SCHEMBL1052566 0.86 AURKB (0.46) AURKBAURKASRCGSK3BAURKC
SCHEMBL3324249 0.85 MAPT (0.43) AURKBAURKASRCGSK3B
SCHEMBL2713578 0.81 MEN1 (0.40) AURKBAURKASRCGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2478361-A2 PROTEIN KINASE CONJUGATES AND INHIBITORS Avila Therapeutics, Inc. (US) 2012-07-25 EP disclosed
EP-2352827-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS Avila Therapeutics, Inc. (US) 2011-08-10 EP disclosed
WO-2011034907-A2 PROTEIN KINASE CONJUGATES AND INHIBITORS AVILA THERAPEUTICS, INC. (US) 2011-03-24 WO disclosed
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS AVILA THERAPEUTICS, INC. (US) 2010-07-22 US disclosed
WO-2010028236-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS AVILA THERAPEUTICS, INC. (US) 2010-03-11 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-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS CDKN1A, SERPINB1, SPR AURKB 36/4885AURKA 47/4885SRC 1828/4885

“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.