SCHEMBL5423643

SCHEMBL5423643

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 13/20 0.35
ALOX5AP P20292 12/20 0.35
KMO O15229 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
LRRK2 Q5S007 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
SCHEMBL5407827 0.88 KMO (0.33) FEN1ALOX5APKMOLRRK2
SCHEMBL5415933 0.87 KMO (0.35) FEN1ALOX5APKMOLRRK2
SCHEMBL5410653 0.79 KMO (0.36) FEN1ALOX5APKMOLRRK2
SCHEMBL5410656 0.78 KMO (0.34) FEN1ALOX5APKMONPC1RAB9A
SCHEMBL5410686 0.78 NPC1 (0.38) FEN1ALOX5APNPC1RAB9A
SCHEMBL5402355 0.77 NPC1 (0.38) FEN1ALOX5APNPC1RAB9A
SCHEMBL5404834 0.72 KMO (0.39) KMO
SCHEMBL5407830 0.72 KMO (0.34) KMOLRRK2
SCHEMBL5417725 0.71 KMO (0.38) FEN1ALOX5APKMONPC1RAB9A
SCHEMBL5423639 0.70 KMO (0.34) FEN1ALOX5APKMONPC1LRRK2

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 FEN1 737/4885ALOX5AP 2360/4885KMO 1533/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD FEN1 265/4885ALOX5AP 3491/4885KMO 2525/4885

“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.