SCHEMBL3769748

SCHEMBL3769748

O=c1[nH][nH]c2cc(Nc3ccc([N+](=O)[O-])c(Nc4cc(C5CC5)n[nH]4)n3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.41
NTRK1 P04629 1/20 0.39
BRD4 O60885 4/20 0.38
DAO P14920 1/20 0.36
IGF1R P08069 1/20 0.34
APP P05067 1/20 0.32
BCL6 P41182 2/20 0.32
BCOR Q6W2J9 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
VRK1 Q99986 2/20 0.31

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
SCHEMBL3766793 0.96 HSF1 (0.43) HSF1NTRK1BRD4DAOIGF1R
SCHEMBL3766182 0.87 IGF1R (0.45) BRD4DAOIGF1RVRK1
SCHEMBL3763551 0.86 APP (0.34) DAOAPPVRK1
SCHEMBL13054545 0.85 NTRK1 (0.55) HSF1NTRK1BRD4IGF1R
SCHEMBL13054561 0.83 NTRK1 (0.53) HSF1NTRK1BRD4IGF1R
SCHEMBL6853854 0.80 IGF1R (0.33) NTRK1DAOIGF1R
SCHEMBL6824078 0.80 HSF1 (0.40) HSF1NTRK1BRD4IGF1RABCG2
SCHEMBL3765122 0.79 MKNK1 (0.35) DAOAPPVRK1
SCHEMBL3768085 0.77 MEN1 (0.34) DAOAPPVRK1
SCHEMBL3768412 0.77 HSF1 (0.46) HSF1BRD4DAOABCG2VRK1

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 8 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
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

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 HSF1 1539/4885NTRK1 1472/4885BRD4 757/4885
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 HSF1 1593/4885NTRK1 1279/4885BRD4 829/4885

“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.