SCHEMBL13055351

SCHEMBL13055351

O=c1[nH][nH]c2cc(OC3CCCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 2/20 0.42
▸ CDK2 P24941 12/20 0.38
▸ CCNA2 P20248 10/20 0.38
▸ CCNA1 P78396 10/20 0.38
▸ CDK9 P50750 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CCNE1 P24864 1/20 0.35

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
SCHEMBL13055361 0.95 CCNA2 (0.39) ROCK1CDK2CCNA2CCNA1
SCHEMBL13055356 0.88 CDK2 (0.36) ROCK1CDK2CCNA2CCNA1CCNE1
SCHEMBL13055283 0.84 AR (0.41) CDK2CCNA2CCNA1
SCHEMBL13055354 0.81 ROCK1 (0.43) ROCK1CDK9
SCHEMBL13055303 0.81 CCNA2 (0.38) CDK2CCNA2CCNA1
SCHEMBL13055326 0.80 CDK2 (0.35) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL13055368 0.80 CDK2 (0.37) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL13055353 0.79 ROCK1 (0.43) ROCK1
SCHEMBL13055704 0.78 PARP15 (0.43) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL13055407 0.77 CDK2 (0.38) CDK2CCNA2CCNA1CDK9CDK5

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
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 — — US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 — — US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 — — US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 — — US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 — — US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 — — 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-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 ROCK1 274/4885CDK2 2/4885CCNA2 333/4885

“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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