SCHEMBL3767642

SCHEMBL3767642

Clc1nc(Nc2cc(C3CC3)n[nH]2)c2cc(I)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.36
PAK1 Q13153 2/20 0.36
SRC P12931 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
GSK3B P49841 1/20 0.35
GABBR2 O75899 4/20 0.35
GABBR1 Q9UBS5 4/20 0.35
NTRK1 P04629 1/20 0.34

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
SCHEMBL1164979 0.88 PAK4 (0.46) PAK4PAK1SRCCCNA2CDK2
SCHEMBL13081420 0.87 GABBR2 (0.34) PAK4PAK1SRCCCNA2CDK2
SCHEMBL3339748 0.87 NTRK1 (0.43) PAK4PAK1SRCCCNA2CDK2
SCHEMBL2207310 0.84 APP (0.46) PAK4PAK1SRCCCNA2CDK2
SCHEMBL3763330 0.81 CLK4 (0.45) PAK1SRCCCNA2CDK2GSK3B
SCHEMBL3768199 0.81 KDM4E (0.39) PAK4PAK1
SCHEMBL3547401 0.80 PDE5A (0.46)
SCHEMBL3340680 0.80 NTRK1 (0.42) GABBR2GABBR1NTRK1
SCHEMBL30311605 0.79 GABBR2 (0.37) PAK4PAK1SRCCCNA2CDK2
SCHEMBL3755800 0.77 DRD2 (0.31) PAK4PAK1

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 10 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-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
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-20040167121-A1 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
WO-2004037814-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-06 WO 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 (2 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-20040167121-A1 Indazolinone compositions useful as kinase inhibitors LCK, CDK2, CILK1 PAK4 566/4885PAK1 318/4885SRC 108/4885
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 PAK4 553/4885PAK1 327/4885SRC 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.