SCHEMBL393101

SCHEMBL393101

CN1CCN(Cc2ccc(C(=O)Nc3ccc4c(c3)NC(=O)C4=Cc3ccc[nH]3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.64
NTRK3 Q16288 1/20 0.64
RET P07949 1/20 0.63
NTRK2 Q16620 2/20 0.61
AURKB Q96GD4 9/20 0.61
FLT3 P36888 6/20 0.61
JAK3 P52333 1/20 0.60
TLK2 Q86UE8 1/20 0.60
KIT P10721 3/20 0.56
FLT4 P35916 3/20 0.56
KDR P35968 2/20 0.56
PDGFRB P09619 1/20 0.56

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
SCHEMBL393100 1.00 NTRK1 (0.64) NTRK1NTRK3RETNTRK2AURKB
SCHEMBL395645 0.95 NTRK1 (0.72) NTRK1NTRK3RETNTRK2AURKB
SCHEMBL396415 0.95 NTRK1 (0.65) NTRK1NTRK3RETNTRK2AURKB
SCHEMBL395646 0.95 NTRK1 (0.72) NTRK1NTRK3RETNTRK2AURKB
SCHEMBL396416 0.95 NTRK1 (0.65) NTRK1NTRK3RETNTRK2AURKB
SCHEMBL396245 0.94 NTRK1 (0.64) NTRK1NTRK3RETNTRK2AURKB
SCHEMBL10091876 0.94 NTRK1 (0.64) NTRK1NTRK3RETNTRK2AURKB
SCHEMBL395559 0.93 NTRK1 (0.64) NTRK1NTRK3RETNTRK2AURKB
SCHEMBL395558 0.93 NTRK1 (0.64) NTRK1NTRK3RETNTRK2AURKB
SCHEMBL396264 0.92 RET (0.58) NTRK1NTRK3RETNTRK2AURKB

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
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 EP 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 170/4885RET 5/4885

“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.