SCHEMBL398756

SCHEMBL398756

CN1CCN(c2ccc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)C5=Cc4cc(C(N)=O)c[nH]4)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 12/20 0.81
▸ NTRK2 Q16620 8/20 0.68
▸ NTRK3 Q16288 4/20 0.57
▸ RAF1 P04049 2/20 0.47
▸ AURKA O14965 2/20 0.47
▸ SRC P12931 1/20 0.47
▸ BRAF P15056 1/20 0.47
▸ DDR1 Q08345 1/20 0.47
▸ AURKB Q96GD4 2/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ RPS6KB1 P23443 1/20 0.46

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
SCHEMBL398755 1.00 NTRK1 (0.81) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL27860281 0.92 NTRK1 (0.82) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL395044 0.87 NTRK2 (0.89) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL395043 0.87 NTRK2 (0.89) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL396214 0.81 NTRK1 (0.85) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL396213 0.81 NTRK1 (0.85) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL14073763 0.81 NTRK2 (0.73) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL396363 0.80 NTRK1 (0.62) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL396364 0.80 NTRK1 (0.62) NTRK1NTRK2NTRK3RAF1AURKA
SCHEMBL398254 0.77 NTRK2 (1.00) NTRK1NTRK2NTRK3RAF1AURKA

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 4 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
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 226/4885NTRK2 235/4885NTRK3 170/4885

“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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