SCHEMBL5405481

SCHEMBL5405481

CC#CCOc1cc(-c2cccc(F)c2F)nc(C)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
MAPK14 Q16539 1/20 0.34
DYRK1A Q13627 3/20 0.33
PFKFB3 Q16875 2/20 0.33
LTB4R Q15722 2/20 0.33
PDE10A Q9Y233 1/20 0.33
FFAR1 O14842 1/20 0.31
CYP19A1 P11511 1/20 0.31
GRM5 P41594 1/20 0.31
ALOX5AP P20292 2/20 0.30
FEN1 P39748 2/20 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
SCHEMBL5410656 0.82 KMO (0.34) DYRK1AGRM5ALOX5APFEN1
SCHEMBL5412809 0.77 NPC1 (0.47) MAOAMAOBLTB4R
SCHEMBL5412876 0.73 PFKFB3 (0.37) MAOAMAOBMAPK14DYRK1APFKFB3
SCHEMBL5413160 0.72 CHRNA7 (0.41) LTB4R
SCHEMBL5407830 0.72 KMO (0.34) DYRK1AGRM5
SCHEMBL5417725 0.71 KMO (0.38) GRM5ALOX5APFEN1
SCHEMBL5399913 0.70 JAK2 (0.33)
SCHEMBL5412742 0.70 HSP90AA1 (0.38) MAPK14DYRK1APFKFB3PDE10A
SCHEMBL5423639 0.70 KMO (0.34) GRM5ALOX5APFEN1
SCHEMBL5415152 0.70 KMO (0.33) GRM5ALOX5APFEN1

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 MAOA 2128/4885MAOB 907/4885MAPK14 2600/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD MAOA 2796/4885MAOB 1563/4885MAPK14 2334/4885

“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.