SCHEMBL4329993

SCHEMBL4329993

Nc1cc(Oc2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.61
KIT P10721 1/20 0.61
PDGFRA P16234 1/20 0.61
RAB9A P51151 1/20 0.60
MERTK Q12866 1/20 0.52
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDR P35968 4/20 0.49
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 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
SCHEMBL4338294 0.90 MET (0.64) METKITPDGFRARAB9AALDH1A1
SCHEMBL4335084 0.90 MET (0.67) METKITPDGFRARAB9AALDH1A1
SCHEMBL4329988 0.88 MET (0.59) METKITPDGFRARAB9AMERTK
SCHEMBL4322995 0.86 MET (0.71) METKDR
SCHEMBL4332082 0.86 MET (0.56) METKITPDGFRARAB9AKDR
SCHEMBL4328418 0.86 MEN1 (0.52) METKITPDGFRARAB9AALDH1A1
SCHEMBL4344027 0.86 ALDH1A1 (0.55) METKITPDGFRARAB9AALDH1A1
SCHEMBL4321802 0.86 MET (0.54) METKITPDGFRARAB9AKDR
SCHEMBL4337455 0.84 KMT2A (0.71) METKITPDGFRARAB9AALDH1A1
SCHEMBL1137668 0.80 MET (0.80) METPDGFRAKDRGAA

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 5 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-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 MET 2/4885KIT 277/4885PDGFRA 40/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF MET 2/4885KIT 224/4885PDGFRA 37/4885

“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.