SCHEMBL13054902

SCHEMBL13054902

O=c1[nH][nH]c2ccc(OCc3cc4ccccc4c(Nc4cc(C5CC5)[nH]n4)n3)cc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.42
IGF1R P08069 5/20 0.42
ULK1 O75385 2/20 0.41
PAK4 O96013 1/20 0.41
PAK1 Q13153 1/20 0.41
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
CCNA2 P20248 3/20 0.40
CDK2 P24941 3/20 0.40
SRC P12931 2/20 0.40
GSK3B P49841 2/20 0.40
CCNA1 P78396 1/20 0.39

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
SCHEMBL13054795 0.86 NTRK1 (0.49) NTRK1IGF1RULK1PAK4PAK1
SCHEMBL12431107 0.85 NTRK1 (0.52) NTRK1IGF1RULK1PAK4PAK1
SCHEMBL14423727 0.84 NTRK1 (0.47) NTRK1IGF1RULK1PAK4PAK1
SCHEMBL13054907 0.82 NTRK1 (0.45) NTRK1IGF1RULK1PAK4PAK1
SCHEMBL14423491 0.80 NTRK1 (0.48) NTRK1IGF1RULK1PAK4PAK1
SCHEMBL13054770 0.78 PAK4 (0.44) NTRK1IGF1RULK1PAK4PAK1
SCHEMBL14423442 0.77 NTRK1 (0.54) NTRK1IGF1RULK1PAK4PAK1
SCHEMBL12431109 0.76 NTRK1 (0.53) NTRK1IGF1RULK1PAK4PAK1
SCHEMBL13054536 0.75 ULK1 (0.48) NTRK1IGF1RULK1PAK4PAK1
SCHEMBL12431112 0.74 NTRK1 (0.57) NTRK1IGF1RULK1PAK4PAK1

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 NTRK1 1279/4885IGF1R 687/4885ULK1 585/4885

“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.