SCHEMBL5402355

SCHEMBL5402355

CC#CC(O)Oc1cc(-c2ccccc2F)ncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 2/20 0.37
CHRNA7 P36544 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
FFAR1 O14842 2/20 0.34
LTB4R Q15722 1/20 0.33
DPP4 P27487 1/20 0.33
IDO1 P14902 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL5415933 0.90 KMO (0.35) ALOX5APFEN1
SCHEMBL5410686 0.86 NPC1 (0.38) NPC1RAB9ACHRNA7L3MBTL1CASP3
SCHEMBL5420842 0.77 NPC1 (0.39) NPC1RAB9ACHRNA7L3MBTL1CASP3
SCHEMBL5423643 0.77 FEN1 (0.35) NPC1RAB9AALOX5APFEN1
SCHEMBL5407827 0.77 KMO (0.33) ALOX5APFEN1
SCHEMBL5413160 0.75 CHRNA7 (0.41) NPC1RAB9ACHRNA7L3MBTL1CASP3
SCHEMBL19815011 0.75 NPC1 (0.52) NPC1RAB9ACHRNA7L3MBTL1CASP3
SCHEMBL29856783 0.75 NPC1 (0.52) NPC1RAB9ACHRNA7L3MBTL1CASP3
SCHEMBL5417701 0.73 CHRNA7 (0.40) NPC1RAB9ACHRNA7L3MBTL1CASP3
SCHEMBL19817233 0.71 NPC1 (0.60) NPC1RAB9ACHRNA7L3MBTL1CASP3

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 NPC1 3228/4885RAB9A 2945/4885CHRNA7 2178/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD NPC1 2108/4885RAB9A 1090/4885CHRNA7 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.