SCHEMBL396227

SCHEMBL396227

CNC(CC(N)=O)n1c(C)c(C(=O)OC)c(C)c1C=C1C(=O)Nc2cc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 9/20 0.45
▸ NTRK3 Q16288 2/20 0.45
▸ POLB P06746 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ NTRK2 Q16620 7/20 0.38
▸ AURKA O14965 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ TLK2 Q86UE8 1/20 0.36
▸ KDR P35968 2/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ TEK Q02763 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL395051 0.85 NTRK1 (0.45) NTRK1NTRK3POLBCTDSP1NTRK2
SCHEMBL399189 0.85 NTRK1 (0.46) NTRK1NTRK3POLBCTDSP1NTRK2
SCHEMBL393968 0.84 NTRK1 (0.44) NTRK1NTRK3POLBCTDSP1NTRK2
SCHEMBL395953 0.83 NTRK1 (0.48) NTRK1NTRK3POLBCTDSP1NTRK2
SCHEMBL4125472 0.80 NTRK1 (0.54) NTRK1NTRK3POLBCTDSP1NTRK2
SCHEMBL396169 0.79 NTRK1 (0.44) NTRK1NTRK3NTRK2RAF1BRAF
SCHEMBL396427 0.76 NTRK1 (0.46) NTRK1NTRK3POLBCTDSP1NTRK2
SCHEMBL4131689 0.75 NTRK1 (0.61) NTRK1NTRK3POLBCTDSP1NTRK2
SCHEMBL4125355 0.75 NTRK1 (0.61) NTRK1NTRK3POLBCTDSP1NTRK2
SCHEMBL395951 0.75 NTRK1 (0.52) NTRK1NTRK3NTRK2AURKAKDR

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 3 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
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
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 — — 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-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, FRK, PTK2B NTRK1 226/4885NTRK3 170/4885POLB 4523/4885

“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.

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