SCHEMBL82251

SCHEMBL82251

CC#CCOc1cc(N2CCCC(C(F)(F)F)C2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.43
PRCP P42785 7/20 0.39
ELOVL1 Q9BW60 7/20 0.39
ACACB O00763 1/20 0.38
TRPV3 Q8NET8 1/20 0.37
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL84547 0.90 MAP4K4 (0.43) MAP4K4PRCPELOVL1ACACBTRPV3
SCHEMBL12580658 0.88 ELOVL1 (0.40) PRCPELOVL1ACACBHRH4
SCHEMBL13563528 0.85 MAP4K4 (0.47) MAP4K4PRCPELOVL1ACACBTRPV3
SCHEMBL81644 0.84 MAP4K4 (0.41) MAP4K4ELOVL1ACACBHRH4
SCHEMBL84497 0.81 ELOVL1 (0.51) ELOVL1HRH4
SCHEMBL83628 0.80 ELOVL1 (0.52) ELOVL1HRH4
SCHEMBL83794 0.80 ELOVL1 (0.52) ELOVL1HRH4
SCHEMBL83494 0.79 ACACB (0.38) ELOVL1ACACBHRH4
SCHEMBL91625 0.78 ELOVL1 (0.40) PRCPELOVL1ACACBHRH4
SCHEMBL83974 0.77 CYP2C19 (0.42) ELOVL1ACACBHRH4

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299245-B2 Method for producing pyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
US-8299245-B2 Method for producing pyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
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-8129526-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-06 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-7973028-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-05 US disclosed
US-7968537-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
EP-1622879-B1 PYRIMIDINE COMPOUNDS AND PESTS CONTROLLING COMPOSITIONS CONTAINING THE SAME SUMITOMO CHEMICAL CO (JP) 2011-04-27 EP disclosed
US-20090111984-A1 Novel Method For Producing Pyrimidine Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20090111984-A1 Novel Method For Producing Pyrimidine Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
EP-2011795-A1 NOVEL PROCESS FOR PRODUCTION OF PYRIMIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-01-07 EP disclosed
EP-2011795-A1 NOVEL PROCESS FOR PRODUCTION OF PYRIMIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-01-07 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
US-20060199800-A1 Pyrimidine compounds and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-07 US disclosed
WO-2006051891-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-18 WO disclosed
EP-1622879-A1 PYRIMIDINE COMPOUNDS AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2006-02-08 EP disclosed
WO-2004099160-A1 PYRIMIDINE COMPOUNDS AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-18 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 (4 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 MAP4K4 1223/4885PRCP 3028/4885ELOVL1 3627/4885
US-20060199800-A1 Pyrimidine compounds and pests controlling composition containing the same C5, C1S, TYMS MAP4K4 2628/4885PRCP 3818/4885ELOVL1 4270/4885
US-20090111984-A1 Novel Method For Producing Pyrimidine Compound DPYD, UMPS, TYMP MAP4K4 248/4885PRCP 2937/4885ELOVL1 3948/4885
US-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS DPYD, DHFR, DHODH MAP4K4 1223/4885PRCP 3028/4885ELOVL1 3627/4885

“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.