SCHEMBL437895

SCHEMBL437895

C#CCOc1cc(F)ncn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOB P27338 9/20 0.33
MAOA P21397 3/20 0.33
ACHE P22303 1/20 0.33
ELOVL1 Q9BW60 1/20 0.33
GSTP1 P09211 1/20 0.33
CA12 O43570 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
EGFR P00533 1/20 0.30

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
SCHEMBL5402357 0.86 POLB (0.46) POLBMAPK1HSD17B10MAOBMAOA
SCHEMBL395587 0.78 CHRM2 (0.33) ELOVL1
SCHEMBL5399689 0.77 POLB (0.39) POLBMAPK1HSD17B10MAOBMAOA
SCHEMBL395529 0.77 MTNR1A (0.33) ELOVL1
SCHEMBL5410828 0.76 POLB (0.38) POLBMAPK1HSD17B10MAOBMAOA
SCHEMBL5415163 0.75 MAOB (0.45) MAPK1HSD17B10MAOBMAOAACHE
SCHEMBL5413428 0.75 L3MBTL1 (0.40) MAOBMAOAACHEELOVL1GSTP1
SCHEMBL5407812 0.74 POLB (0.36) POLBMAPK1HSD17B10MAOBMAOA
SCHEMBL5413487 0.74 CHRM4 (0.37) POLBMAPK1HSD17B10MAOBMAOA
SCHEMBL5423439 0.74 MEN1 (0.43) MAOB

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
US-20120088914-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-12 US disclosed
US-8101753-B2 Production method of pyrimidine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-24 US disclosed
EP-1809610-B1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-08-24 EP disclosed
US-20090005403-A1 Alkinyl-Oxypyrimidines Used in the Form of Pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-01 US disclosed
US-20090005403-A1 Alkinyl-Oxypyrimidines Used in the Form of Pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-01 US disclosed
US-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-02-14 US disclosed
EP-1809610-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2007-07-25 EP disclosed
WO-2006051891-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-18 WO 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 (3 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-20120088914-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS DPYD, DHFR, DHODH POLB 253/4885MAPK1 2739/4885HSD17B10 1445/4885
US-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS DPYD, DHFR, DHODH POLB 253/4885MAPK1 2739/4885HSD17B10 1445/4885
US-20090005403-A1 Alkinyl-Oxypyrimidines Used in the Form of Pesticides ALK, DPYD, DDT POLB 560/4885MAPK1 2333/4885HSD17B10 3034/4885

“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.