SCHEMBL4335519

SCHEMBL4335519

CN1CCC(C(=O)Nc2cc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)c(Cl)c3)ccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BRAF P15056 12/20 0.44
KDR P35968 13/20 0.44
MET P08581 5/20 0.44
GAA P10253 1/20 0.43
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42

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
SCHEMBL4324360 0.94 MEN1 (0.49) MEN1KMT2ABRAFKDRMET
SCHEMBL4321947 0.91 STS (0.44) MEN1KMT2ABRAFKDR
SCHEMBL4335063 0.89 MET (0.45) MEN1KMT2AKDRMETGAA
SCHEMBL4335435 0.85 MEN1 (0.45) MEN1KMT2AKDRMETGAA
SCHEMBL13861102 0.85 MEN1 (0.45) MEN1KMT2AKDRMETGAA
SCHEMBL13861093 0.85 MEN1 (0.45) MEN1KMT2AKDRMETGAA
SCHEMBL4326460 0.85 KDR (0.42) MEN1KMT2AKDRMET
SCHEMBL13861099 0.84 MEN1 (0.44) MEN1KMT2AKDRMETGAA
SCHEMBL9958075 0.83 MEN1 (0.44) MEN1KMT2AKDRMETGAA
SCHEMBL4335093 0.83 MEN1 (0.48) MEN1KMT2AMETGAAKIT

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 MEN1 3696/4885KMT2A 4095/4885BRAF 68/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF MEN1 3870/4885KMT2A 4080/4885BRAF 64/4885

“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.