SCHEMBL398071

SCHEMBL398071

Cc1ccc(NC(=O)c2ccccc2)cc1Nc1ccc2c(c1)NC(=O)C2=Cc1ccc[nH]1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.79
AURKB Q96GD4 9/20 0.70
JAK3 P52333 1/20 0.69
TLK2 Q86UE8 1/20 0.69
FLT3 P36888 8/20 0.68
KIT P10721 5/20 0.68
NTRK3 Q16288 4/20 0.68
PDGFRB P09619 2/20 0.68
JAK2 O60674 1/20 0.68
ABL1 P00519 1/20 0.68
INSR P06213 1/20 0.68
CSF1R P07333 1/20 0.68
LYN P07948 1/20 0.68
RET P07949 1/20 0.68
IGF1R P08069 1/20 0.68
MET P08581 1/20 0.68
ROS1 P08922 1/20 0.68
FGR P09769 1/20 0.68
SRC P12931 1/20 0.68
FLT1 P17948 1/20 0.68

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
SCHEMBL398070 1.00 NTRK1 (0.79) NTRK1AURKBJAK3TLK2FLT3
SCHEMBL394614 0.93 TLK2 (0.81) NTRK1AURKBJAK3TLK2FLT3
SCHEMBL394613 0.93 TLK2 (0.81) NTRK1AURKBJAK3TLK2FLT3
SCHEMBL397699 0.92 AURKB (0.74) NTRK1AURKBJAK3TLK2FLT3
SCHEMBL397698 0.92 AURKB (0.74) NTRK1AURKBJAK3TLK2FLT3
SCHEMBL10091891 0.91 NTRK1 (0.70) NTRK1AURKBJAK3TLK2FLT3
SCHEMBL396854 0.91 NTRK1 (0.70) NTRK1AURKBJAK3TLK2FLT3
SCHEMBL3603764 0.90 FLT3 (0.80) NTRK1AURKBFLT3KITNTRK3
SCHEMBL3603766 0.90 FLT3 (0.80) NTRK1AURKBFLT3KITNTRK3
SCHEMBL10091847 0.90 NTRK1 (0.89) NTRK1AURKBJAK3TLK2FLT3

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 13 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
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
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 226/4885AURKB 164/4885JAK3 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.