SCHEMBL3768412

SCHEMBL3768412

O=c1[nH][nH]c2cc(Nc3ccc([N+](=O)[O-])c(Nc4ncn[nH]4)n3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.46
DAO P14920 1/20 0.39
BRD4 O60885 6/20 0.39
ALPL P05186 3/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 1/20 0.35
VRK1 Q99986 2/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
EIF2AK2 P19525 1/20 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
SCHEMBL3762202 0.81 HSF1 (0.43) HSF1DAOBRD4KMT2AVRK1
SCHEMBL13054545 0.77 NTRK1 (0.55) HSF1BRD4
SCHEMBL3769748 0.77 HSF1 (0.41) HSF1DAOBRD4VRK1ABCG2
SCHEMBL13054561 0.76 NTRK1 (0.53) HSF1BRD4
SCHEMBL3766793 0.75 HSF1 (0.43) HSF1DAOBRD4VRK1
SCHEMBL6782800 0.65 HSF1 (0.83) HSF1BRD4CYP3A4CYP2C19MEN1
SCHEMBL13055840 0.64 IGF1R (0.42)
SCHEMBL6783318 0.63 HSF1 (1.00) HSF1BRD4MAPTSMN1; SMN2
SCHEMBL13054543 0.63 FADS1 (0.48) CYP1A2
SCHEMBL29695497 0.63 HSF1 (1.00) HSF1BRD4MAPTSMN1; SMN2

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 9 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
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 HSF1 1539/4885DAO 3368/4885BRD4 757/4885
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 HSF1 1593/4885DAO 3229/4885BRD4 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.