SCHEMBL13054848

SCHEMBL13054848

Cc1cc(Nc2nc(C3CC3c3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.49
GSK3B P49841 8/20 0.49
AURKB Q96GD4 7/20 0.49
SRC P12931 7/20 0.49
EIF2AK2 P19525 1/20 0.49
GSK3A P49840 1/20 0.49
NTRK1 P04629 5/20 0.45

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
SCHEMBL2206992 0.85 AURKA (0.61) AURKAGSK3BAURKBSRCEIF2AK2
SCHEMBL13054836 0.84 AURKA (0.38) AURKA
SCHEMBL13054842 0.81 GSK3A (0.39) GSK3BGSK3ANTRK1
SCHEMBL13054835 0.80 PAK4 (0.35) NTRK1
SCHEMBL13054452 0.79 AURKA (0.70) AURKAGSK3BAURKBSRCEIF2AK2
SCHEMBL13054568 0.77 AURKA (0.72) AURKAGSK3BAURKBSRCEIF2AK2
SCHEMBL13054763 0.77 AURKA (0.71) AURKAGSK3BAURKBSRCEIF2AK2
SCHEMBL13054828 0.77 AURKA (0.49) AURKAGSK3BAURKBSRCEIF2AK2
SCHEMBL14423724 0.74 AURKA (0.58) AURKAGSK3BAURKBSRCEIF2AK2
SCHEMBL13054971 0.74 AURKA (0.67) AURKAGSK3BAURKBSRCEIF2AK2

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

“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.