SCHEMBL81644

SCHEMBL81644

CC#CCOc1cc(N2CCCC(C)C2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
ELOVL1 Q9BW60 6/20 0.39
GRM4 Q14833 1/20 0.38
JAK3 P52333 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
PRKDC P78527 1/20 0.36
MAPT P10636 2/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GALR3 O60755 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACACB O00763 2/20 0.35

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
SCHEMBL12580658 0.87 ELOVL1 (0.40) ELOVL1HRH4CYP2C19ACACBMMP8
SCHEMBL83974 0.85 CYP2C19 (0.42) ELOVL1HRH4CYP2C19ALDH1A1TSHR
SCHEMBL82974 0.85 ACACB (0.36) ELOVL1HRH4CYP2C19KDM4EACACB
SCHEMBL82959 0.85 ACACB (0.36) ELOVL1HRH4CYP2C19KDM4EACACB
SCHEMBL82973 0.85 ACACB (0.36) ELOVL1HRH4CYP2C19KDM4EACACB
SCHEMBL84342 0.85 ACACB (0.36) ELOVL1HRH4CYP2C19KDM4EACACB
SCHEMBL83494 0.85 ACACB (0.38) ELOVL1HRH4CYP2C19ACACBADAM17
SCHEMBL84497 0.85 ELOVL1 (0.51) ELOVL1HRH4CYP2C19TSHRNPC1
SCHEMBL82251 0.84 MAP4K4 (0.43) MAP4K4ELOVL1HRH4ACACB
SCHEMBL83628 0.83 ELOVL1 (0.52) ELOVL1HRH4CYP2C19ALDH1A1TSHR

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129526-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-7973028-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-05 US 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-7928110-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-19 US disclosed
US-7732448-B2 Pyrimidine compounds and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-08 US disclosed
US-7732448-B2 Pyrimidine compounds and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-08 US disclosed
US-20100036117-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090209518-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-20 US disclosed
US-20090209519-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-20 US disclosed
US-20090209519-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-20 US disclosed
US-20090203674-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-13 US disclosed
US-20060199800-A1 Pyrimidine compounds and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-07 US 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 (5 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-20060199800-A1 Pyrimidine compounds and pests controlling composition containing the same C5, C1S, TYMS MAP4K4 2628/4885ELOVL1 4270/4885GRM4 1330/4885
US-20090203674-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME C5, C1S, C9 MAP4K4 2247/4885ELOVL1 4535/4885GRM4 1138/4885
US-20090209518-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME C5, C1S, C9 MAP4K4 2272/4885ELOVL1 4583/4885GRM4 1156/4885
US-20100036117-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME C5, C1S, CCNB3 MAP4K4 2572/4885ELOVL1 4617/4885GRM4 958/4885
US-20090209519-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME C5, C1S, C9 MAP4K4 2283/4885ELOVL1 4572/4885GRM4 1120/4885

“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.