SCHEMBL5410656

SCHEMBL5410656

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.34
CHRNA7 P36544 1/20 0.33
LRRK2 Q5S007 1/20 0.32
GRM5 P41594 2/20 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
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CLK4 Q9HAZ1 3/20 0.31
USP2 O75604 2/20 0.31
ALDH1A1 P00352 2/20 0.31
APEX1 P27695 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B14 Q9BPX1 1/20 0.30
LMNA P02545 1/20 0.30
CYP2D6 P10635 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
SCHEMBL5413160 0.90 CHRNA7 (0.41) CHRNA7CYP1A2CYP2C19ALOX15HSD17B10
SCHEMBL5407830 0.89 KMO (0.34) KMOCHRNA7LRRK2GRM5CYP1A2
SCHEMBL5417725 0.88 KMO (0.38) KMOCHRNA7LRRK2GRM5CYP1A2
SCHEMBL5423639 0.87 KMO (0.34) KMOCHRNA7LRRK2GRM5HSD17B14
SCHEMBL5415885 0.86 CDK2 (0.33) KMOCHRNA7LRRK2GRM5CLK4
SCHEMBL5415152 0.86 KMO (0.33) KMOCHRNA7LRRK2GRM5CYP1A2
SCHEMBL5415928 0.86 KMO (0.36) KMOCHRNA7GRM5HSD17B14
SCHEMBL5399913 0.85 JAK2 (0.33) CYP1A2CYP2C19NPC1RAB9A
SCHEMBL5404834 0.84 KMO (0.39) KMOCHRNA7GRM5CYP1A2CYP2C19
SCHEMBL5405481 0.82 MAOA (0.34) GRM5DYRK1AALOX5APFEN1

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 1533/4885CHRNA7 2178/4885LRRK2 684/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD KMO 2525/4885CHRNA7 2825/4885LRRK2 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.