SCHEMBL396247

SCHEMBL396247

Cc1[nH]c(/C=C2\C(=O)Nc3cc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc32)c(C)c1C(=O)N1CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.61
AURKB Q96GD4 7/20 0.58
FLT3 P36888 7/20 0.58
NTRK2 Q16620 4/20 0.55
NTRK3 Q16288 1/20 0.47
KDR P35968 5/20 0.47
MET P08581 4/20 0.47
MEN1 O00255 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
PTK2B Q14289 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRB P09619 1/20 0.46
KIT P10721 2/20 0.45
FLT4 P35916 2/20 0.45
FLT1 P17948 1/20 0.45

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
SCHEMBL396248 1.00 NTRK1 (0.61) NTRK1AURKBFLT3NTRK2NTRK3
SCHEMBL10091930 0.92 NTRK1 (0.61) NTRK1AURKBFLT3NTRK2NTRK3
SCHEMBL393208 0.92 NTRK1 (0.61) NTRK1AURKBFLT3NTRK2NTRK3
SCHEMBL393105 0.91 FLT3 (0.59) NTRK1AURKBFLT3NTRK2NTRK3
SCHEMBL393104 0.91 FLT3 (0.59) NTRK1AURKBFLT3NTRK2NTRK3
SCHEMBL397464 0.91 NTRK1 (0.54) NTRK1AURKBFLT3NTRK2NTRK3
SCHEMBL397463 0.91 NTRK1 (0.54) NTRK1AURKBFLT3NTRK2NTRK3
SCHEMBL395566 0.91 NTRK1 (0.51) NTRK1AURKBFLT3NTRK2NTRK3
SCHEMBL395565 0.91 NTRK1 (0.51) NTRK1AURKBFLT3NTRK2NTRK3
SCHEMBL10091924 0.90 NTRK1 (0.74) NTRK1AURKBFLT3NTRK2NTRK3

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 6 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
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 226/4885AURKB 164/4885FLT3 93/4885

“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.