SCHEMBL398703

SCHEMBL398703

Cc1cccc(C(=O)Nc2cccc(Oc3ccc4c(c3)NC(=O)C4=Cc3cc(C(=O)O)c[nH]3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.53
FLT1 P17948 2/20 0.53
NTRK2 Q16620 1/20 0.51
AKT2 P31751 3/20 0.50
NTRK1 P04629 3/20 0.50
FLT3 P36888 2/20 0.49
KIT P10721 1/20 0.49
FLT4 P35916 1/20 0.49
TLK2 Q86UE8 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NTRK3 Q16288 2/20 0.46
KMT2A Q03164 1/20 0.46
FGFR1 P11362 1/20 0.45
JAK3 P52333 1/20 0.44
AURKB Q96GD4 2/20 0.44

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
SCHEMBL398702 1.00 KDR (0.53) KDRFLT1NTRK2AKT2NTRK1
SCHEMBL395940 0.88 NTRK1 (0.61) KDRNTRK2AKT2NTRK1FLT3
SCHEMBL395941 0.88 NTRK1 (0.61) KDRNTRK2AKT2NTRK1FLT3
SCHEMBL27860372 0.88 NTRK1 (0.66) KDRNTRK2AKT2NTRK1FLT3
SCHEMBL10091939 0.87 NTRK2 (0.52) KDRFLT1NTRK2AKT2NTRK1
SCHEMBL10091936 0.87 AKT2 (0.46) KDRFLT1NTRK2AKT2NTRK1
SCHEMBL394066 0.87 AKT2 (0.46) KDRFLT1NTRK2AKT2NTRK1
SCHEMBL396452 0.87 NTRK1 (0.52) KDRFLT1NTRK2AKT2NTRK1
SCHEMBL396921 0.87 NTRK2 (0.52) KDRFLT1NTRK2AKT2NTRK1
SCHEMBL396453 0.87 NTRK1 (0.52) KDRFLT1NTRK2AKT2NTRK1

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 12 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
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 KDR 204/4885FLT1 291/4885NTRK2 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.