SCHEMBL4335719

SCHEMBL4335719

CN(C)CCCN(C)C(=O)Nc1cc(Oc2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2F)ncn1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.53
MET P08581 19/20 0.52
KDR P35968 17/20 0.52
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
AXL P30530 1/20 0.48

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
SCHEMBL4323015 0.94 MET (0.51) RAF1METKDRPDGFRBAXL
SCHEMBL4323004 0.91 MET (0.54) RAF1METKDRPDGFRBPDGFRA
SCHEMBL4326362 0.89 MET (0.52) RAF1METKDRPDGFRBAXL
SCHEMBL4335733 0.85 RAF1 (0.50) RAF1METKDR
SCHEMBL4328614 0.84 MET (0.55) RAF1METKDRAXL
SCHEMBL4342724 0.84 MET (0.47) RAF1METKDR
SCHEMBL13861462 0.84 MET (0.48) RAF1METKDRPDGFRBPDGFRA
SCHEMBL13861461 0.84 MET (0.48) RAF1METKDRPDGFRBPDGFRA
SCHEMBL13861419 0.84 KDR (0.52) RAF1METKDR
SCHEMBL4330833 0.83 MET (0.48) RAF1METKDRPDGFRBPDGFRA

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 6 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-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 RAF1 162/4885MET 2/4885KDR 7/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF RAF1 145/4885MET 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.