SCHEMBL394096

SCHEMBL394096

Cc1c(C(=O)O)c(C)n(C(C(N)=O)N2CCCC2)c1C=C1C(=O)Nc2cc(Nc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 13/20 0.56
▸ NTRK3 Q16288 3/20 0.56
▸ NTRK2 Q16620 8/20 0.51
▸ AURKA O14965 1/20 0.47
▸ RAF1 P04049 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ MAPK14 Q16539 2/20 0.45
▸ POLB P06746 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ FLT3 P36888 1/20 0.41

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
SCHEMBL394130 0.99 NTRK1 (0.56) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL399113 0.97 NTRK1 (0.51) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL398246 0.92 NTRK1 (0.53) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL394537 0.92 NTRK1 (0.52) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL397179 0.92 NTRK1 (0.48) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL396375 0.91 NTRK1 (0.54) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL396423 0.89 FLT3 (0.51) NTRK1NTRK3NTRK2AURKAKIT
SCHEMBL395533 0.88 FLT3 (0.48) NTRK1KITFLT4KDRFLT3
SCHEMBL397947 0.88 NTRK1 (0.58) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL396893 0.87 FLT3 (0.47) NTRK1KITFLT4KDRFLT3

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-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 — — 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

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 170/4885NTRK2 235/4885

“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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