SCHEMBL4331913

SCHEMBL4331913

O=C(CC(=O)Nc1ccc(Oc2ccnc(NC(=O)NC3CC3)c2)cc1Cl)Nc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.48
P2RX3 P56373 1/20 0.47
KDR P35968 15/20 0.47
BRAF P15056 13/20 0.47
MAPK14 Q16539 2/20 0.45
RIPK2 O43353 1/20 0.45
ERN1 O75460 1/20 0.45
STK10 O94804 1/20 0.45
MAP3K6 O95382 1/20 0.45
ABL1 P00519 1/20 0.45
ESR1 P03372 1/20 0.45
RET P07949 1/20 0.45
PDGFRB P09619 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
KIT P10721 1/20 0.45
BCR P11274 1/20 0.45
FGFR1 P11362 1/20 0.45
NQO2 P16083 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45

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
SCHEMBL4342692 0.85 KDR (0.57) KDRBRAFMAPK14RIPK2ABL1
SCHEMBL4334102 0.84 KDR (0.51) KDRBRAFMAPK14RIPK2ABL1
SCHEMBL4342545 0.82 KDR (0.50) KDRBRAFMAPK14RIPK2ABL1
SCHEMBL4340643 0.82 KDR (0.50) KDRBRAFMAPK14RIPK2ABL1
SCHEMBL4335702 0.82 KDR (0.49) KDRBRAFMAPK14RIPK2ABL1
SCHEMBL13861127 0.81 HRH3 (0.45) KDRBRAFMAPK14FLT1
SCHEMBL4322864 0.81 KDR (0.59) KDRBRAFMAPK14RIPK2ABL1
SCHEMBL4322901 0.80 MET (0.49) KDRMAPK14RIPK2ABL1RET
SCHEMBL12411764 0.80 KDR (0.59) KDRBRAFMAPK14RIPK2ERN1
SCHEMBL4322870 0.80 KDR (0.45) KDRBRAFMAPK14RIPK2ABL1

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
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
EP-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 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 (2 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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 EPHX2 2388/4885P2RX3 662/4885KDR 7/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF EPHX2 2441/4885P2RX3 692/4885KDR 7/4885

“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.