SCHEMBL5415933

SCHEMBL5415933

CC#CC(O)Oc1cc(-c2cccc(F)c2F)ncn1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.35
HSD17B14 Q9BPX1 1/20 0.31
LRRK2 Q5S007 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 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
SCHEMBL5402355 0.90 NPC1 (0.38) ALOX5APFEN1
SCHEMBL5407827 0.87 KMO (0.33) KMOLRRK2ALOX5APFEN1
SCHEMBL5423643 0.87 FEN1 (0.35) KMOLRRK2ALOX5APFEN1
SCHEMBL5410653 0.78 KMO (0.36) KMOHSD17B14LRRK2ALOX5APFEN1
SCHEMBL5410686 0.77 NPC1 (0.38) ALOX5APFEN1
SCHEMBL5410656 0.77 KMO (0.34) KMOHSD17B14LRRK2ALOX5APFEN1
SCHEMBL5404834 0.71 KMO (0.39) KMOHSD17B14
SCHEMBL5407830 0.71 KMO (0.34) KMOHSD17B14LRRK2
SCHEMBL5415928 0.71 KMO (0.36) KMOHSD17B14
SCHEMBL5417725 0.70 KMO (0.38) KMOHSD17B14LRRK2ALOX5APFEN1

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 KMO 1533/4885HSD17B14 2854/4885LRRK2 684/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD KMO 2525/4885HSD17B14 3030/4885LRRK2 1082/4885

“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.