SCHEMBL5413487

SCHEMBL5413487

C#CCOc1cc(Oc2c(F)cccc2F)ncn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.37
MAOB P27338 11/20 0.34
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.33
TNNI3K Q59H18 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 5/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ELOVL1 Q9BW60 1/20 0.31
EGFR P00533 1/20 0.31
ACHE P22303 1/20 0.31
GCK P35557 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
SCHEMBL5423439 0.85 MEN1 (0.43) CHRM4MAOBSMN1; SMN2
SCHEMBL5420860 0.83 KDR (0.34) CHRM4KDRMAPK14TNNI3KSMN1; SMN2
SCHEMBL5415271 0.80 MAP4K4 (0.45) CHRM4MAOBSMN1; SMN2L3MBTL1MAOA
SCHEMBL5402357 0.79 POLB (0.46) MAOBMAOAPOLBMAPK1HSD17B10
SCHEMBL5413428 0.78 L3MBTL1 (0.40) CHRM4MAOBSMN1; SMN2L3MBTL1MAOA
SCHEMBL5413305 0.77 SMN1; SMN2 (0.54) MAOBSMN1; SMN2L3MBTL1MAOA
SCHEMBL5404834 0.76 KMO (0.39) MAOBMAOAHSD17B10
SCHEMBL5402360 0.75 CHRNA7 (0.46) MAOBL3MBTL1MAOA
SCHEMBL17282973 0.75 NPC1 (0.38) MAOBMAOAPOLBMAPK1HSD17B10
SCHEMBL5413024 0.74 MAP4K4 (0.45) MAOBSMN1; SMN2L3MBTL1MAPK1EGFR

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 CHRM4 1229/4885MAOB 907/4885KDR 872/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD CHRM4 2249/4885MAOB 1563/4885KDR 653/4885

“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.