SCHEMBL13054597

SCHEMBL13054597

Cc1nc(Sc2ccc3c(=O)[nH][nH]c3c2)nc(Nc2cc(C3CC3)[nH]n2)c1C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.49
GSK3B P49841 2/20 0.49
AURKB Q96GD4 2/20 0.49
IGF1R P08069 10/20 0.41
PAK4 O96013 2/20 0.39
PAK1 Q13153 2/20 0.39
AURKA O14965 2/20 0.39
NTRK1 P04629 1/20 0.38

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
SCHEMBL13054592 0.88 IGF1R (0.49) SRCGSK3BAURKBIGF1RNTRK1
SCHEMBL13054595 0.86 IGF1R (0.46) SRCGSK3BAURKBIGF1RAURKA
SCHEMBL13054569 0.86 GSK3B (0.65) SRCGSK3BAURKBPAK4PAK1
SCHEMBL14423346 0.83 SRC (0.49) SRCGSK3BAURKBIGF1RPAK4
SCHEMBL13054580 0.83 AURKB (0.49) SRCGSK3BAURKBIGF1RPAK4
SCHEMBL12430795 0.82 AURKA (0.55) SRCGSK3BAURKBIGF1RAURKA
SCHEMBL13054646 0.81 PAK4 (0.49) AURKBIGF1RPAK4PAK1AURKA
SCHEMBL13054745 0.80 IGF1R (0.45) SRCGSK3BIGF1RPAK4PAK1
SCHEMBL13054590 0.80 IGF1R (0.47) SRCGSK3BAURKBIGF1RAURKA
SCHEMBL13054692 0.79 AURKB (0.41) SRCGSK3BAURKBIGF1RPAK4

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 SRC 99/4885GSK3B 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.