SCHEMBL396701

SCHEMBL396701

Cc1[nH]c(/C=C2\C(=O)Nc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc32)c(C)c1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.69
FLT3 P36888 8/20 0.67
FLT4 P35916 5/20 0.67
KDR P35968 5/20 0.67
KIT P10721 2/20 0.67
AURKB Q96GD4 5/20 0.64
NTRK3 Q16288 1/20 0.60
AURKA O14965 1/20 0.59
MET P08581 1/20 0.59
PDGFRB P09619 1/20 0.59
AURKC Q9UQB9 1/20 0.59
CSF1R P07333 5/20 0.58
NTRK2 Q16620 1/20 0.55
POLB P06746 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
ALK Q9UM73 1/20 0.52

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
SCHEMBL396702 1.00 NTRK1 (0.69) NTRK1FLT3FLT4KDRKIT
SCHEMBL4122462 0.96 NTRK1 (0.76) NTRK1FLT3FLT4KDRKIT
SCHEMBL3997804 0.96 NTRK1 (0.76) NTRK1FLT3FLT4KDRKIT
SCHEMBL5007515 0.93 NTRK1 (0.66) NTRK1FLT3FLT4KDRKIT
SCHEMBL5007514 0.93 NTRK1 (0.66) NTRK1FLT3FLT4KDRKIT
SCHEMBL4128467 0.93 FLT3 (0.65) NTRK1FLT3FLT4KDRKIT
SCHEMBL4128470 0.93 FLT3 (0.65) NTRK1FLT3FLT4KDRKIT
SCHEMBL4125355 0.91 NTRK1 (0.61) NTRK1FLT3FLT4KDRKIT
SCHEMBL4131689 0.91 NTRK1 (0.61) NTRK1FLT3FLT4KDRKIT
SCHEMBL396178 0.89 FLT3 (0.81) NTRK1FLT3FLT4KDRKIT

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 11 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
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
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
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 NTRK1 226/4885FLT3 93/4885FLT4 323/4885

“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.