SCHEMBL13054535

SCHEMBL13054535

CCc1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.42
AURKA O14965 18/20 0.41
AURKB Q96GD4 9/20 0.41
SRC P12931 1/20 0.39
GSK3B P49841 1/20 0.39
PLK4 O00444 1/20 0.39
PAK4 O96013 1/20 0.39

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
SCHEMBL13054529 0.89 AURKA (0.42) PIK3C3AURKAAURKB
SCHEMBL13054526 0.88 DOT1L (0.51) PIK3C3AURKAAURKBSRCGSK3B
SCHEMBL13054516 0.82 AURKA (0.49) PIK3C3AURKAAURKBSRCGSK3B
SCHEMBL13840507 0.81 AURKA (0.49) PIK3C3AURKAAURKBSRCGSK3B
SCHEMBL13054870 0.80 AURKA (0.36) AURKAAURKBGSK3BPLK4PAK4
SCHEMBL13054528 0.80 AURKA (0.47) PIK3C3AURKAAURKBSRCGSK3B
SCHEMBL12430939 0.79 AURKA (0.61) PIK3C3AURKAAURKBSRCGSK3B
SCHEMBL13054518 0.78 AURKA (0.45) PIK3C3AURKAAURKBSRC
SCHEMBL13081379 0.77 AURKA (0.41) PIK3C3AURKAAURKBSRCGSK3B
SCHEMBL13054452 0.77 AURKA (0.70) AURKAAURKBSRCGSK3BPLK4

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 PIK3C3 220/4885AURKA 10/4885AURKB 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.