SCHEMBL13055331

SCHEMBL13055331

O=c1[nH][nH]c2cc(SC3COCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 14/20 0.33
▸ CDK2 P24941 14/20 0.33
▸ CCNA1 P78396 14/20 0.33
▸ PAK4 O96013 1/20 0.30
▸ PAK1 Q13153 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30

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
SCHEMBL13055339 0.89 CCNA2 (0.35) CCNA2CDK2CCNA1PAK4PAK1
SCHEMBL13055326 0.88 CDK2 (0.35) CCNA2CDK2CCNA1
SCHEMBL13055292 0.84 CCNA2 (0.36) CCNA2CDK2CCNA1
SCHEMBL13055356 0.81 CDK2 (0.36) CCNA2CDK2CCNA1GSK3B
SCHEMBL13055336 0.80 PARP14 (0.34) —
SCHEMBL13055377 0.80 CDK2 (0.36) CCNA2CDK2CCNA1GSK3B
SCHEMBL13055417 0.77 PRMT5 (0.37) CCNA2CDK2CCNA1PAK4PAK1
SCHEMBL13055338 0.76 — —
SCHEMBL13055303 0.76 CCNA2 (0.38) CCNA2CDK2CCNA1PAK4PAK1
SCHEMBL13055283 0.75 AR (0.41) CCNA2CDK2CCNA1

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 CCNA2 333/4885CDK2 2/4885CCNA1 533/4885

“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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