SCHEMBL5407812

SCHEMBL5407812

C#CCOc1cc(OCC#CC)ncn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOB P27338 5/20 0.34
MAOA P21397 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
ACHE P22303 1/20 0.32
GSTP1 P09211 1/20 0.31
PGK1 P00558 1/20 0.31
EGFR P00533 1/20 0.30
CA12 O43570 2/20 0.30
CA9 Q16790 2/20 0.30
CA4 P22748 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 0.91 CHRM3 (0.37) POLBCHRM2CHRM4CHRM5CHRM3
SCHEMBL5402357 0.87 POLB (0.46) POLBMAPK1HSD17B10MAOBMAOA
SCHEMBL5402690 0.84 POLB (0.35) POLBMAPK1HSD17B10MAOBMAOA
SCHEMBL5402113 0.82 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM3
SCHEMBL5415327 0.79 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM3
SCHEMBL5394920 0.79 NUDT1 (0.38) CHRM2CHRM4CHRM5CHRM3
SCHEMBL5406103 0.79 GABRP (0.31) CHRM2CHRM4CHRM5CHRM3
SCHEMBL5398630 0.79 GABRP (0.35) CHRM2CHRM4CHRM5CHRM3
SCHEMBL395587 0.79 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM3
SCHEMBL83513 0.79 ADAM17 (0.33) 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 7 patents. 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 disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP 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-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 POLB 683/4885MAPK1 2068/4885HSD17B10 2944/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD POLB 260/4885MAPK1 1924/4885HSD17B10 3783/4885

“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.