SCHEMBL13054835

SCHEMBL13054835

O=c1[nH][nH]c2cc(C3CC3c3nc(Nc4n[nH]c5c(F)cccc45)c4ccccc4n3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 4/20 0.35
NTRK1 P04629 4/20 0.33
DAO P14920 1/20 0.32
EGFR P00533 1/20 0.32
HTR2A P28223 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FADS1 O60427 1/20 0.31
PDE5A O76074 1/20 0.31
ALDH1A1 P00352 1/20 0.31
C1R P00736 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NTRK3 Q16288 1/20 0.30
NTRK2 Q16620 1/20 0.30

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
SCHEMBL13054836 0.88 AURKA (0.38) PAK4FADS1PDE5A
SCHEMBL13054842 0.87 GSK3A (0.39) PAK4NTRK1DAOEGFRNPC1
SCHEMBL2205613 0.84 PAK4 (0.41) PAK4NTRK1EGFRHTR2AFADS1
SCHEMBL13054848 0.80 AURKA (0.49) NTRK1
SCHEMBL2204038 0.72 GSK3A (0.45) PAK4NTRK1EGFRFADS1PDE5A
SCHEMBL2205261 0.71 ADRA2A (0.45) PAK4FADS1PDE5A
SCHEMBL13054502 0.69 AURKA (0.40) NTRK1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL13055081 0.68 NTRK1 (0.38) PAK4NTRK1EGFRKDM4ESMN1; SMN2
SCHEMBL786153 0.68 ABCG2 (0.58) PDE5AMAPT
SCHEMBL13055087 0.68 MEN1 (0.40) NTRK1EGFRKDM4ESMN1; SMN2ALDH1A1

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 553/4885NTRK1 1279/4885DAO 3229/4885

“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.