SCHEMBL13054677

SCHEMBL13054677

COCC(C)(C)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc3c(=O)[nH][nH]c3c2)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 18/20 0.49
AURKA O14965 17/20 0.49
GSK3B P49841 2/20 0.40
SRC P12931 1/20 0.40
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
NTRK1 P04629 1/20 0.37

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
SCHEMBL13054631 0.89 AURKA (0.59) AURKBAURKAGSK3BSRCNTRK1
SCHEMBL13054661 0.83 AURKB (0.46) AURKBAURKAGSK3BSRC
SCHEMBL13054649 0.81 AURKB (0.49) AURKBAURKAGSK3BSRCABL1
SCHEMBL13054701 0.80 AURKB (0.45) AURKBAURKAGSK3BSRCABL1
SCHEMBL13054657 0.79 AURKB (0.44) AURKBAURKAGSK3BSRCABL1
SCHEMBL13054617 0.79 AURKA (0.51) AURKBAURKAGSK3BSRCNTRK1
SCHEMBL13054705 0.78 AURKB (0.44) AURKBAURKAGSK3BSRCNTRK1
SCHEMBL13054611 0.78 AURKA (0.49) AURKBAURKAGSK3BSRCNTRK1
SCHEMBL13054628 0.78 AURKA (0.63) AURKBAURKAGSK3BSRCNTRK1
SCHEMBL13054650 0.77 AURKB (0.48) AURKBAURKAGSK3BSRCABL1

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 AURKB 18/4885AURKA 10/4885GSK3B 28/4885

“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.