SCHEMBL397833

SCHEMBL397833

O=C1Nc2cc(Nc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2C1=Cc1ccc[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 1.00
NTRK3 Q16288 5/20 1.00
NTRK2 Q16620 7/20 0.73
SRC P12931 2/20 0.71
AURKA O14965 1/20 0.71
RAF1 P04049 1/20 0.71
AURKB Q96GD4 3/20 0.68
FLT3 P36888 3/20 0.60
PDGFRB P09619 2/20 0.60
KIT P10721 2/20 0.60
FLT4 P35916 1/20 0.60
JAK2 O60674 1/20 0.59
ABL1 P00519 1/20 0.59
INSR P06213 1/20 0.59
CSF1R P07333 1/20 0.59
LYN P07948 1/20 0.59
RET P07949 1/20 0.59
IGF1R P08069 1/20 0.59
MET P08581 1/20 0.59
ROS1 P08922 1/20 0.59

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
SCHEMBL397832 1.00 NTRK1 (1.00) NTRK1NTRK3NTRK2SRCAURKA
SCHEMBL396656 0.96 NTRK1 (0.92) NTRK1NTRK3NTRK2SRCAURKA
SCHEMBL396655 0.96 NTRK1 (0.92) NTRK1NTRK3NTRK2SRCAURKA
SCHEMBL398025 0.93 NTRK1 (0.87) NTRK1NTRK3NTRK2SRCAURKA
SCHEMBL398026 0.93 NTRK1 (0.87) NTRK1NTRK3NTRK2SRCAURKA
SCHEMBL3599980 0.91 NTRK1 (1.00) NTRK1NTRK3NTRK2SRCAURKA
SCHEMBL3599984 0.91 NTRK1 (1.00) NTRK1NTRK3NTRK2SRCAURKA
SCHEMBL398682 0.90 NTRK1 (0.83) NTRK1NTRK3NTRK2SRCAURKA
SCHEMBL398681 0.90 NTRK1 (0.83) NTRK1NTRK3NTRK2SRCAURKA
SCHEMBL396900 0.89 NTRK1 (1.00) NTRK1NTRK3NTRK2SRCAURKA

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 7 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
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 EP claimed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US claimed
EP-1814545-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-08-08 EP claimed
WO-2006052936-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-18 WO 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 226/4885NTRK3 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.