SCHEMBL13054545

SCHEMBL13054545

O=c1[nH][nH]c2cc(Nc3ccc([N+](=O)[O-])c(Nc4cc(C5CC5)[nH]n4)n3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.55
IGF1R P08069 10/20 0.47
HSF1 Q00613 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
ULK1 O75385 4/20 0.41
PDK1 Q15118 1/20 0.41
ULK2 Q8IYT8 1/20 0.41
BRD4 O60885 1/20 0.39
PAK4 O96013 1/20 0.37
PAK1 Q13153 1/20 0.37

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
SCHEMBL13054561 0.96 NTRK1 (0.53) NTRK1IGF1RHSF1PIK3C3ULK1
SCHEMBL3769748 0.85 HSF1 (0.41) NTRK1IGF1RHSF1BRD4
SCHEMBL13055840 0.84 IGF1R (0.42) NTRK1IGF1RPIK3C3ULK1PDK1
SCHEMBL3766793 0.83 HSF1 (0.43) NTRK1IGF1RHSF1BRD4
SCHEMBL13054541 0.83 PAK4 (0.47) IGF1RULK1PAK4PAK1
SCHEMBL13054536 0.81 ULK1 (0.48) NTRK1IGF1RULK1PDK1ULK2
SCHEMBL13081761 0.81 ULK1 (0.40) IGF1RULK1PDK1ULK2PAK4
SCHEMBL13054498 0.80 SRC (0.46) IGF1RULK1PDK1ULK2PAK4
SCHEMBL13081885 0.79 PAK4 (0.42) IGF1RULK1PDK1ULK2PAK4
SCHEMBL3768412 0.77 HSF1 (0.46) HSF1BRD4

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 4 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-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 NTRK1 1279/4885IGF1R 687/4885HSF1 1593/4885

“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.