SCHEMBL4331875

SCHEMBL4331875

CN(C)CCCN(C)C(=O)Nc1cc(Oc2ccc(NC(=S)NC(=O)Cc3ccc(F)cc3)c(F)c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.42
MET P08581 7/20 0.42
KDR P35968 5/20 0.42
PDGFRB P09619 4/20 0.42
FLT3 P36888 4/20 0.42
CSF1R P07333 3/20 0.42
PDGFRA P16234 3/20 0.42
MAPK13 O15264 3/20 0.42
BRAF P15056 2/20 0.41
EPHB6 O15197 1/20 0.40
RIPK2 O43353 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
HCK P08631 1/20 0.40
BCR P11274 1/20 0.40
EPHA2 P29317 1/20 0.40
EPHB2 P29323 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
SCHEMBL4334234 0.94 MAPK14 (0.47) MAPK14METKDRPDGFRBFLT3
SCHEMBL4335437 0.90 MET (0.46) MAPK14METKDRPDGFRBFLT3
SCHEMBL4321936 0.87 MET (0.45) MAPK14METKDRPDGFRAMAPK13
SCHEMBL13861508 0.86 MET (0.55) METKDRPDGFRBFLT3CSF1R
SCHEMBL4342665 0.85 KDR (0.43) MAPK14METKDRPDGFRBFLT3
SCHEMBL13861409 0.84 KDR (0.44) MAPK14METKDRPDGFRBFLT3
SCHEMBL4328773 0.83 MAPK14 (0.50) MAPK14KDRMAPK13BRAF
SCHEMBL4328743 0.83 KDR (0.48) MAPK14METKDRPDGFRBFLT3
SCHEMBL13861510 0.82 MET (0.65) METKDRPDGFRBFLT3CSF1R
SCHEMBL13861454 0.81 KDR (0.53) MAPK14METKDRPDGFRBFLT3

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 8 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
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 MAPK14 2269/4885MET 2/4885KDR 7/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF MAPK14 1891/4885MET 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.