SCHEMBL13054541

SCHEMBL13054541

O=c1[nH][nH]c2cc(Nc3cccc(Nc4cc(C5CC5)[nH]n4)n3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.47
PAK1 Q13153 2/20 0.47
NEK1 Q96PY6 1/20 0.47
SRC P12931 3/20 0.46
ABL1 P00519 1/20 0.45
YES1 P07947 1/20 0.45
HCK P08631 1/20 0.45
IGF1R P08069 2/20 0.43
ULK1 O75385 1/20 0.42

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
SCHEMBL13054498 0.91 SRC (0.46) PAK4PAK1NEK1SRCABL1
SCHEMBL13081885 0.87 PAK4 (0.42) PAK4PAK1NEK1SRCABL1
SCHEMBL13054536 0.84 ULK1 (0.48) PAK4PAK1SRCIGF1RULK1
SCHEMBL13925100 0.83 ULK1 (0.48) PAK4PAK1NEK1SRCIGF1R
SCHEMBL13081761 0.83 ULK1 (0.40) PAK4PAK1NEK1SRCABL1
SCHEMBL13054718 0.83 PAK4 (0.44) PAK4PAK1NEK1SRCABL1
SCHEMBL13054778 0.83 PAK4 (0.44) PAK4PAK1NEK1SRCABL1
SCHEMBL13054530 0.83 IGF1R (0.63) IGF1R
SCHEMBL13054545 0.83 NTRK1 (0.55) PAK4PAK1IGF1RULK1
SCHEMBL13054561 0.83 NTRK1 (0.53) PAK4PAK1NEK1SRCIGF1R

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 PAK4 553/4885PAK1 327/4885NEK1 205/4885

“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.