SCHEMBL394129

SCHEMBL394129

Cc1[nH]c(C=C2C(=O)Nc3cc(Nc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc32)c(C)c1C(=O)NCCN1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK2 Q16620 8/20 0.68
NTRK1 P04629 9/20 0.65
PDGFRB P09619 3/20 0.63
KDR P35968 3/20 0.63
AURKB Q96GD4 3/20 0.63
FLT3 P36888 2/20 0.63
MET P08581 1/20 0.63
AURKA O14965 2/20 0.59
LCK P06239 1/20 0.59
KIT P10721 1/20 0.59
KCNH2 Q12809 1/20 0.59
FGFR1 P11362 2/20 0.57
TLK2 Q86UE8 1/20 0.57
NTRK3 Q16288 1/20 0.57
CSF1R P07333 3/20 0.49
RAF1 P04049 1/20 0.49
SRC P12931 1/20 0.49

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
SCHEMBL10091901 1.00 NTRK2 (0.68) NTRK2NTRK1PDGFRBKDRAURKB
SCHEMBL10091900 0.99 NTRK2 (0.69) NTRK2NTRK1PDGFRBKDRAURKB
SCHEMBL394095 0.99 NTRK2 (0.69) NTRK2NTRK1PDGFRBKDRAURKB
SCHEMBL10091902 0.96 NTRK2 (0.70) NTRK2NTRK1PDGFRBKDRAURKB
SCHEMBL396374 0.96 NTRK2 (0.70) NTRK2NTRK1PDGFRBKDRAURKB
SCHEMBL399112 0.96 KDR (0.67) NTRK2NTRK1PDGFRBKDRAURKB
SCHEMBL10091855 0.96 KDR (0.67) NTRK2NTRK1PDGFRBKDRAURKB
SCHEMBL394536 0.92 KDR (0.68) NTRK2NTRK1PDGFRBKDRAURKB
SCHEMBL10091896 0.92 KDR (0.68) NTRK2NTRK1PDGFRBKDRAURKB
SCHEMBL10091895 0.91 KDR (0.69) NTRK2NTRK1PDGFRBKDRAURKB

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 NTRK2 235/4885NTRK1 226/4885PDGFRB 313/4885

“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.