SCHEMBL4326460

SCHEMBL4326460

CN1CCN(CCCNC(=O)Nc2cc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)c(Cl)c3)ccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.42
FLT1 P17948 2/20 0.42
FLT4 P35916 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FGFR1 P11362 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MET P08581 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SRC P12931 1/20 0.39
SYK P43405 1/20 0.39
GSK3A P49840 1/20 0.39
MAPK14 Q16539 1/20 0.39
RAB9A P51151 1/20 0.39
CACNA1G O43497 1/20 0.39

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
SCHEMBL4329648 0.92 L3MBTL1 (0.49) KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL14366284 0.87 MET (0.48) KDRFLT1FLT4METMAPK14
SCHEMBL4326479 0.86 KDR (0.41) KDRFLT1FLT4KMT2AFGFR1
SCHEMBL4335063 0.86 MET (0.45) KDRKMT2AMEN1METMAPK14
SCHEMBL4335093 0.85 MEN1 (0.48) KMT2AMEN1ALDH1A1METL3MBTL1
SCHEMBL4330552 0.85 MEN1 (0.43) KDRKMT2AMEN1ALDH1A1MET
SCHEMBL4335519 0.85 MEN1 (0.47) KDRKMT2AMEN1MET
SCHEMBL13861093 0.81 MEN1 (0.45) KDRKMT2AMEN1ALDH1A1MET
SCHEMBL4335435 0.81 MEN1 (0.45) KDRKMT2AMEN1ALDH1A1MET
SCHEMBL13861102 0.81 MEN1 (0.45) KDRKMT2AMEN1ALDH1A1MET

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 KDR 7/4885FLT1 3/4885FLT4 4/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF KDR 7/4885FLT1 4/4885FLT4 5/4885

“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.