SCHEMBL4333427

SCHEMBL4333427

O=C(CC(=O)Nc1ccc(F)cc1F)Nc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.56
MET P08581 10/20 0.55
KDR P35968 9/20 0.52
EPHB6 O15197 1/20 0.47
RIPK2 O43353 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
LYN P07948 1/20 0.47
RET P07949 1/20 0.47
HCK P08631 1/20 0.47
PDGFRB P09619 1/20 0.47
BCR P11274 1/20 0.47
EPHA2 P29317 1/20 0.47
EPHB2 P29323 1/20 0.47
FLT3 P36888 1/20 0.47
ABL2 P42684 1/20 0.47
FRK P42685 1/20 0.47
LIMK1 P53667 1/20 0.47
EPHB3 P54753 1/20 0.47

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
SCHEMBL4330366 0.92 MET (0.65) AXLMETKDRRIPK2RIPK3
SCHEMBL4328473 0.91 AXL (0.53) AXLMETKDRBRAF
SCHEMBL4335642 0.88 KDR (0.59) AXLMETKDREPHB6RIPK2
SCHEMBL4335054 0.88 AXL (0.54) AXLMETKDRBRAF
SCHEMBL13860798 0.88 AXL (0.56) AXLMETKDRBRAF
SCHEMBL4322741 0.86 KDR (0.69) AXLMETKDRBRAF
SCHEMBL4329349 0.86 AXL (0.54) AXLMETKDRBRAF
SCHEMBL4325982 0.86 AXL (0.54) AXLMETKDRBRAF
SCHEMBL4330107 0.85 MET (0.55) AXLMETKDRBRAF
SCHEMBL13861052 0.84 AXL (0.63) AXLMETKDRRIPK2RIPK3

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 AXL 87/4885MET 2/4885KDR 7/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF AXL 116/4885MET 2/4885KDR 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.