SCHEMBL5407830

SCHEMBL5407830

CCC#CCOc1cc(-c2cccc(F)c2F)ncn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.34
GRM5 P41594 2/20 0.33
CHRNA7 P36544 1/20 0.32
CLK4 Q9HAZ1 3/20 0.32
CDK2 P24941 1/20 0.32
MAPK1 P28482 1/20 0.32
FLT4 P35916 1/20 0.32
MAPK8 P45983 1/20 0.32
CLK2 P49760 1/20 0.32
LIMK1 P53667 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
TAOK1 Q7L7X3 1/20 0.32
SLK Q9H2G2 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CYP1A2 P05177 3/20 0.31
CYP2C19 P33261 3/20 0.31
ALOX15 P16050 2/20 0.31
HSD17B10 Q99714 2/20 0.31

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
SCHEMBL5415885 0.90 CDK2 (0.33) KMOGRM5CHRNA7CLK4CDK2
SCHEMBL5410692 0.90 CHRNA7 (0.41) CHRNA7CLK4CYP1A2CYP2C19ALOX15
SCHEMBL5410656 0.89 KMO (0.34) KMOGRM5CHRNA7CLK4CDK2
SCHEMBL5423639 0.89 KMO (0.34) KMOGRM5CHRNA7LRRK2HSD17B14
SCHEMBL5415928 0.88 KMO (0.36) KMOGRM5CHRNA7HSD17B14
SCHEMBL5417725 0.87 KMO (0.38) KMOGRM5CHRNA7LRRK2CYP1A2
SCHEMBL5415152 0.85 KMO (0.33) KMOGRM5CHRNA7LRRK2CYP1A2
SCHEMBL5404834 0.83 KMO (0.39) KMOGRM5CHRNA7CYP1A2CYP2C19
SCHEMBL5407575 0.80 TRPA1 (0.41) LMNA
SCHEMBL5399917 0.79 KMO (0.45) KMOGRM5CYP1A2CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 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-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 KMO 1533/4885GRM5 3534/4885CHRNA7 2178/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD KMO 2525/4885GRM5 3254/4885CHRNA7 2825/4885

“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.