SCHEMBL5402360

SCHEMBL5402360

C#CCOc1cc(-c2ccccc2F)ncn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.46
MAOB P27338 11/20 0.43
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
RAB9A P51151 1/20 0.38
MAOA P21397 4/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL5404834 0.89 KMO (0.39) CHRNA7MAOBMAOA
SCHEMBL5405598 0.86 CHRNA7 (0.41) CHRNA7MAOBNPC1L3MBTL1CASP3
SCHEMBL5413160 0.83 CHRNA7 (0.41) CHRNA7NPC1L3MBTL1CASP3SENP8
SCHEMBL5402351 0.82 CHRNA7 (0.41) CHRNA7NPC1L3MBTL1CASP3SENP8
SCHEMBL5410692 0.82 CHRNA7 (0.41) CHRNA7NPC1L3MBTL1CASP3SENP8
SCHEMBL5410887 0.79 NPC1 (0.57) MAOBNPC1RAB9AMAOA
SCHEMBL5423439 0.78 MEN1 (0.43) MAOB
SCHEMBL14387910 0.78 CHRNA7 (0.44) CHRNA7NPC1L3MBTL1CASP3SENP8
SCHEMBL19815011 0.77 NPC1 (0.52) CHRNA7NPC1L3MBTL1CASP3SENP8
SCHEMBL29856783 0.77 NPC1 (0.52) CHRNA7NPC1L3MBTL1CASP3SENP8

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 CHRNA7 2178/4885MAOB 907/4885NPC1 3228/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD CHRNA7 2825/4885MAOB 1563/4885NPC1 2108/4885

“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.