SCHEMBL399187

SCHEMBL399187

CNCCCN(C)C(=O)c1c[nH]c(/C=C2\C(=O)Nc3cc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.52
NTRK3 Q16288 2/20 0.52
NTRK2 Q16620 8/20 0.48
AURKA O14965 1/20 0.41
RAF1 P04049 1/20 0.41
SRC P12931 1/20 0.41
AKT2 P31751 2/20 0.41
TLK2 Q86UE8 2/20 0.40
PDPK1 O15530 1/20 0.40
PDK1 Q15118 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
AURKB Q96GD4 1/20 0.40
KIT P10721 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL399188 1.00 NTRK1 (0.52) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL10091932 0.92 NTRK1 (0.54) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL397163 0.92 NTRK1 (0.54) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL10091931 0.89 NTRK1 (0.53) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL396426 0.89 NTRK1 (0.53) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL396226 0.86 NTRK2 (0.53) NTRK1NTRK3NTRK2AURKAAURKB
SCHEMBL396225 0.86 NTRK2 (0.53) NTRK1NTRK3NTRK2AURKAAURKB
SCHEMBL395940 0.85 NTRK1 (0.61) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL395941 0.85 NTRK1 (0.61) NTRK1NTRK3NTRK2AURKARAF1
SCHEMBL394066 0.83 AKT2 (0.46) NTRK1NTRK3NTRK2AKT2TLK2

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 8 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-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-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
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 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 170/4885NTRK2 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.