SCHEMBL5412876

SCHEMBL5412876

C#CC(C)Oc1cc(-c2cccc(F)c2F)nc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 3/20 0.37
DYRK1A Q13627 5/20 0.35
PDE10A Q9Y233 2/20 0.33
MAPK14 Q16539 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CTSA P10619 1/20 0.32
HSD11B1 P28845 1/20 0.32
LTB4R Q15722 1/20 0.31
ALOX5AP P20292 2/20 0.30
FEN1 P39748 2/20 0.30
WNT1 P04628 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
SCHEMBL5410653 0.81 KMO (0.36) DYRK1AALOX5APFEN1
SCHEMBL5405481 0.73 MAOA (0.34) PFKFB3DYRK1APDE10AMAPK14MAOA
SCHEMBL5420842 0.71 NPC1 (0.39) MAPK14LTB4RALOX5APFEN1
SCHEMBL5412742 0.70 HSP90AA1 (0.38) PFKFB3DYRK1APDE10AMAPK14HSD11B1
SCHEMBL5407827 0.68 KMO (0.33) DYRK1AALOX5APFEN1
SCHEMBL13443190 0.68 SLC6A2 (0.38)
SCHEMBL20910332 0.64 MAPK14 (0.53) PDE10AMAPK14
SCHEMBL5404834 0.62 KMO (0.39) MAOAMAOB
SCHEMBL10268446 0.61 CCR1 (0.56) CTSAHSD11B1
SCHEMBL5423643 0.61 FEN1 (0.35) ALOX5APFEN1

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 PFKFB3 169/4885DYRK1A 2963/4885PDE10A 1809/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD PFKFB3 132/4885DYRK1A 3461/4885PDE10A 2234/4885

“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.