SCHEMBL395523

SCHEMBL395523

C#CCOc1ncnc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
MGMT P16455 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CHRM3 P20309 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
MAOA P21397 1/20 0.30
ACHE P22303 1/20 0.30
MAOB P27338 1/20 0.30
KDR P35968 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
SCHEMBL392313 0.81 POLB (0.36) POLBMAPK1HSD17B10CDK1CCNB1
SCHEMBL395311 0.78 CHRM3 (0.35) CHRM3
SCHEMBL396809 0.74
SCHEMBL1628690 0.74 KDM4E (0.37) POLBMAPK1
SCHEMBL13942039 0.71 SMN1; SMN2 (0.34) MAPK1
SCHEMBL6364198 0.67 CHRM3 (0.35) CHRM3
SCHEMBL19724980 0.65 TRPA1 (0.33) CHRM1
SCHEMBL437895 0.65 POLB (0.39) POLBMAPK1HSD17B10MAOAACHE
SCHEMBL83611 0.65
SCHEMBL12506114 0.65

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 6 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-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 (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-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

“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.