SCHEMBL4333839

SCHEMBL4333839

CCN(CC)CCCNC(=O)Nc1cc(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)c(Cl)c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
KDR P35968 4/20 0.41
FLT1 P17948 1/20 0.41
HDAC3 O15379 4/20 0.41
HDAC4 P56524 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC7 Q8WUI4 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC10 Q969S8 4/20 0.41
HDAC11 Q96DB2 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC9 Q9UKV0 4/20 0.41
HDAC5 Q9UQL6 4/20 0.41
MAPK14 Q16539 3/20 0.41
GCK P35557 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
RET P07949 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
SCHEMBL13861127 0.95 HRH3 (0.45) HRH3KDRFLT1HDAC3HDAC4
SCHEMBL3558791 0.89 MET (0.49) HRH3KDRFLT1MAPK14ABL1
SCHEMBL14366285 0.88 KDR (0.45) HRH3KDRFLT1MAPK14GCK
SCHEMBL4321589 0.85 MET (0.58) KDRFLT1GCKMETBRAF
SCHEMBL4330370 0.84 MAPT (0.48) KDRFLT1MAPK14ABL1RET
SCHEMBL14366282 0.83 MET (0.46) HRH3KDRFLT1MAPK14GCK
SCHEMBL4323368 0.82 KDR (0.51) KDRMETALDH1A1RAF1
SCHEMBL3555937 0.81 GCK (0.42) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4331913 0.80 EPHX2 (0.48) KDRFLT1MAPK14ABL1RET
SCHEMBL13861081 0.79 HRH3 (0.50) HRH3KDRMAPK14ABL1RET

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-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
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 HRH3 59/4885KDR 7/4885FLT1 3/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF HRH3 52/4885KDR 7/4885FLT1 4/4885

“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.