SCHEMBL13054580

SCHEMBL13054580

COc1cccc2c(Nc3cc(C4CC4)[nH]n3)nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 6/20 0.49
GSK3B P49841 4/20 0.49
SRC P12931 2/20 0.49
AURKA O14965 6/20 0.44
IGF1R P08069 6/20 0.43
NTRK1 P04629 1/20 0.40
PAK4 O96013 1/20 0.40
PAK1 Q13153 1/20 0.40
DAPK3 O43293 1/20 0.39
STK17B O94768 1/20 0.39
DAPK1 P53355 1/20 0.39
STK17A Q9UEE5 1/20 0.39
ULK1 O75385 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
SCHEMBL14423346 0.88 SRC (0.49) AURKBGSK3BSRCAURKAIGF1R
SCHEMBL13054578 0.88 AURKA (0.58) AURKBGSK3BSRCAURKA
SCHEMBL13054569 0.84 GSK3B (0.65) AURKBGSK3BSRCAURKANTRK1
SCHEMBL13054597 0.83 SRC (0.49) AURKBGSK3BSRCAURKAIGF1R
SCHEMBL12430601 0.82 AURKB (0.74) AURKBGSK3BSRCAURKAIGF1R
SCHEMBL13054592 0.80 IGF1R (0.49) AURKBGSK3BSRCIGF1RNTRK1
SCHEMBL13054711 0.79 SRC (0.47) AURKBGSK3BSRCIGF1RNTRK1
SCHEMBL13054595 0.78 IGF1R (0.46) AURKBGSK3BSRCAURKAIGF1R
SCHEMBL13054573 0.77 AURKA (0.53) AURKBGSK3BSRCAURKA
SCHEMBL13054692 0.77 AURKB (0.41) AURKBGSK3BSRCAURKAIGF1R

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 18/4885GSK3B 28/4885SRC 99/4885

“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.