SCHEMBL396411

SCHEMBL396411

Nc1cccc(Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK3 Q16288 4/20 0.71
NTRK1 P04629 4/20 0.67
FLT3 P36888 10/20 0.64
FLT4 P35916 6/20 0.64
KIT P10721 5/20 0.64
PDGFRB P09619 5/20 0.64
PDPK1 O15530 3/20 0.62
RET P07949 3/20 0.62
ALK Q9UM73 2/20 0.62
KDR P35968 9/20 0.59
AURKB Q96GD4 3/20 0.57
AURKA O14965 2/20 0.57
PDGFRA P16234 1/20 0.57
AURKC Q9UQB9 1/20 0.57
TLK2 Q86UE8 2/20 0.56
JAK3 P52333 2/20 0.55
SYK P43405 1/20 0.55
ATM Q13315 1/20 0.55
CHEK1 O14757 1/20 0.55
DAPK3 O43293 1/20 0.55

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
SCHEMBL10091848 1.00 NTRK3 (0.71) NTRK3NTRK1FLT3FLT4KIT
SCHEMBL396412 1.00 NTRK3 (0.71) NTRK3NTRK1FLT3FLT4KIT
SCHEMBL396510 0.91 PDPK1 (0.72) NTRK3NTRK1FLT3PDGFRBPDPK1
SCHEMBL396509 0.91 PDPK1 (0.72) NTRK3NTRK1FLT3PDGFRBPDPK1
SCHEMBL4136534 0.85 TLK2 (0.66) NTRK3NTRK1FLT3FLT4KIT
SCHEMBL5728610 0.84 PDPK1 (0.80) NTRK3NTRK1FLT3FLT4KIT
SCHEMBL5728607 0.84 PDPK1 (0.80) NTRK3NTRK1FLT3FLT4KIT
SCHEMBL3590029 0.82 FLT3 (0.90) NTRK3NTRK1FLT3FLT4KIT
SCHEMBL3590032 0.82 FLT3 (0.90) NTRK3NTRK1FLT3FLT4KIT
SCHEMBL3609167 0.81 NTRK3 (0.78) NTRK3NTRK1FLT3FLT4KIT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 US claimed
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 EP claimed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US claimed
EP-1814545-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-08-08 EP claimed
WO-2006052936-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-18 WO claimed
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 US disclosed
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 EP disclosed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US disclosed
EP-1814545-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-08-08 EP disclosed
WO-2006052936-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-18 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 (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-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, FRK, PTK2B NTRK3 170/4885NTRK1 226/4885FLT3 93/4885

“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.