SCHEMBL395587

SCHEMBL395587

CC#CCOc1cc(F)ncn1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
ELOVL1 Q9BW60 1/20 0.32
CYP19A1 P11511 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
SCHEMBL5410704 0.87 CHRM3 (0.37) CHRM2CHRM4CHRM5CHRM3
SCHEMBL395529 0.84 MTNR1A (0.33) CHRM2CHRM4CHRM5CHRM3ELOVL1
SCHEMBL395864 0.81 ELOVL1 (0.30) ELOVL1
SCHEMBL5407812 0.79 POLB (0.36) CHRM2CHRM4CHRM5CHRM3
SCHEMBL83513 0.79 ADAM17 (0.33) CHRM2CHRM4CHRM5CHRM3CYP19A1
SCHEMBL5402113 0.79 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM3
SCHEMBL5405707 0.78 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM3
SCHEMBL437895 0.78 POLB (0.39) ELOVL1
SCHEMBL5397804 0.77 CHRM2 (0.30) CHRM2CHRM4CHRM5CHRM3
SCHEMBL5399736 0.77 KDR (0.30) ELOVL1

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
US-20120088914-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-12 US disclosed
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
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-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-02-14 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 CHRM2 1125/4885CHRM4 1403/4885CHRM5 1269/4885
US-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS DPYD, DHFR, DHODH CHRM2 1125/4885CHRM4 1403/4885CHRM5 1269/4885
US-20090005403-A1 Alkinyl-Oxypyrimidines Used in the Form of Pesticides ALK, DPYD, DDT CHRM2 242/4885CHRM4 595/4885CHRM5 410/4885

“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.