SCHEMBL396453

SCHEMBL396453

Cc1cccc(C(=O)Nc2cccc(Oc3ccc4c(c3)NC(=O)C4=Cc3cc(C(=O)N4CCN(C)CC4)c[nH]3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.52
NTRK3 Q16288 2/20 0.52
KDR P35968 5/20 0.51
NTRK2 Q16620 4/20 0.51
AKT2 P31751 2/20 0.43
TLK2 Q86UE8 1/20 0.42
FLT3 P36888 2/20 0.42
KIT P10721 1/20 0.42
FLT4 P35916 1/20 0.42
AURKB Q96GD4 1/20 0.42
FLT1 P17948 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.40
CSF1R P07333 1/20 0.40

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
SCHEMBL396452 1.00 NTRK1 (0.52) NTRK1NTRK3KDRNTRK2AKT2
SCHEMBL10091939 0.92 NTRK2 (0.52) NTRK1NTRK3KDRNTRK2AKT2
SCHEMBL396921 0.92 NTRK2 (0.52) NTRK1NTRK3KDRNTRK2AKT2
SCHEMBL394220 0.90 NTRK2 (0.60) NTRK1NTRK3KDRNTRK2AKT2
SCHEMBL394219 0.90 NTRK2 (0.60) NTRK1NTRK3KDRNTRK2AKT2
SCHEMBL396860 0.90 NTRK1 (0.48) NTRK1NTRK3KDRNTRK2AKT2
SCHEMBL396859 0.90 NTRK1 (0.48) NTRK1NTRK3KDRNTRK2AKT2
SCHEMBL398702 0.87 KDR (0.53) NTRK1NTRK3KDRNTRK2AKT2
SCHEMBL398703 0.87 KDR (0.53) NTRK1NTRK3KDRNTRK2AKT2
SCHEMBL393104 0.85 FLT3 (0.59) NTRK1NTRK3KDRNTRK2FLT3

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 226/4885NTRK3 170/4885KDR 204/4885

“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.