SCHEMBL396858

SCHEMBL396858

O=C1Nc2c(Nc3cccc(NC(=O)c4ccccc4)c3)cccc2C1=Cc1ccc[nH]1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.73
TLK2 Q86UE8 5/20 0.66
JAK3 P52333 1/20 0.66
NTRK3 Q16288 4/20 0.59
AURKB Q96GD4 3/20 0.57
FLT3 P36888 3/20 0.54
KIT P10721 2/20 0.54
FLT4 P35916 2/20 0.54
PDGFRB P09619 1/20 0.54
KDR P35968 1/20 0.49
PDPK1 O15530 2/20 0.48
AKT2 P31751 1/20 0.48
PDK1 Q15118 1/20 0.48
NTRK2 Q16620 2/20 0.48

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
SCHEMBL396857 1.00 NTRK1 (0.73) NTRK1TLK2JAK3NTRK3AURKB
SCHEMBL397140 0.88 TLK2 (0.64) NTRK1TLK2JAK3NTRK3AURKB
SCHEMBL397139 0.88 TLK2 (0.64) NTRK1TLK2JAK3NTRK3AURKB
SCHEMBL398830 0.85 TLK2 (0.89) NTRK1TLK2JAK3NTRK3AURKB
SCHEMBL396901 0.85 NTRK1 (1.00) NTRK1TLK2JAK3NTRK3AURKB
SCHEMBL396900 0.85 NTRK1 (1.00) NTRK1TLK2JAK3NTRK3AURKB
SCHEMBL398831 0.85 TLK2 (0.89) NTRK1TLK2JAK3NTRK3AURKB
SCHEMBL394527 0.83 NTRK1 (0.58) NTRK1TLK2JAK3NTRK3AURKB
SCHEMBL394528 0.83 NTRK1 (0.58) NTRK1TLK2JAK3NTRK3AURKB
SCHEMBL10091844 0.82 NTRK1 (0.85) NTRK1TLK2JAK3NTRK3AURKB

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 10 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
CN-101056632-B Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2011-12-07 CN 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
CN-101056632-B Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2011-12-07 CN 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
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
CN-1151187-A Subtilisin 309 variants having decreased absorption and increased hydrolysis PROCTER & GAMBLE (US) 1997-06-04 CN 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 226/4885TLK2 181/4885JAK3 261/4885

“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.