SCHEMBL5404834

SCHEMBL5404834

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.39
MAOB P27338 14/20 0.38
CHRNA7 P36544 1/20 0.36
MAOA P21397 6/20 0.33
GRM5 P41594 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B14 Q9BPX1 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
SCHEMBL5402360 0.89 CHRNA7 (0.46) MAOBCHRNA7MAOA
SCHEMBL5417725 0.85 KMO (0.38) KMOCHRNA7GRM5CYP1A2CYP2C19
SCHEMBL5423639 0.84 KMO (0.34) KMOCHRNA7GRM5HSD17B14
SCHEMBL5410656 0.84 KMO (0.34) KMOCHRNA7GRM5CYP1A2KDM4E
SCHEMBL5415928 0.83 KMO (0.36) KMOCHRNA7GRM5HSD17B14
SCHEMBL5407830 0.83 KMO (0.34) KMOCHRNA7GRM5CYP1A2KDM4E
SCHEMBL5415885 0.81 CDK2 (0.33) KMOCHRNA7GRM5
SCHEMBL5415152 0.81 KMO (0.33) KMOCHRNA7GRM5CYP1A2KDM4E
SCHEMBL5405598 0.78 CHRNA7 (0.41) KMOMAOBCHRNA7CYP1A2KDM4E
SCHEMBL5410653 0.78 KMO (0.36) KMOCHRNA7CYP1A2KDM4ECYP3A4

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 1533/4885MAOB 907/4885CHRNA7 2178/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD KMO 2525/4885MAOB 1563/4885CHRNA7 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.