SCHEMBL83513

SCHEMBL83513

CC#CCOc1cc(Cl)ncn1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MMP2 P08253 2/20 0.31
MMP8 P22894 2/20 0.31
MMP13 P45452 2/20 0.31
MMP9 P14780 1/20 0.31
AGPAT2 O15120 1/20 0.31
CYP19A1 P11511 1/20 0.30
MMP7 P09237 1/20 0.30
CASR P41180 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) ADAM17CHRM2CHRM4CHRM5CHRM3
SCHEMBL84293 0.84 MTNR1A (0.36) CHRM2CHRM4CHRM5CHRM3HCAR2
SCHEMBL14356693 0.81 HDAC1 (0.32) HDAC1HDAC6HDAC5
SCHEMBL5407812 0.79 POLB (0.36) CHRM2CHRM4CHRM5CHRM3
SCHEMBL5402113 0.79 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM3HCAR2
SCHEMBL395587 0.79 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM3CYP19A1
SCHEMBL5387326 0.78 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM3
SCHEMBL5399689 0.78 POLB (0.39) HDAC1HDAC6HDAC5
SCHEMBL5408029 0.77 ADAM17 (0.38) ADAM17CHRM2CHRM4CHRM5CHRM3
SCHEMBL5389000 0.77 CHRM2 (0.30) CHRM2CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US claimed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US claimed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP claimed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US claimed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP claimed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 WO claimed
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-7928110-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-19 US disclosed
EP-1483249-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES Sumitomo Chemical Company, Limited (JP) 2004-12-08 EP disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
WO-2004099160-A1 PYRIMIDINE COMPOUNDS AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-18 WO disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
WO-2003076415-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-18 WO disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS ADAM17 3790/4885CHRM2 776/4885CHRM4 1229/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD ADAM17 4348/4885CHRM2 2555/4885CHRM4 2249/4885

“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.