SCHEMBL5402702

SCHEMBL5402702

CC1CCCC(Oc2cc(Cl)ncn2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.40
MCHR1 Q99705 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACACB O00763 2/20 0.35
KMO O15229 2/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
ELOVL1 Q9BW60 2/20 0.33
LOX P28300 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
NAE1 Q13564 1/20 0.32
UBA3 Q8TBC4 1/20 0.32
JAK3 P52333 2/20 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
SCHEMBL557714 0.85 S1PR1 (0.50) S1PR1MEN1KMT2AACACBKMO
SCHEMBL5415896 0.84 S1PR1 (0.39) S1PR1MCHR1MEN1KMT2AACACB
SCHEMBL5410863 0.84 S1PR1 (0.39) S1PR1MCHR1MEN1KMT2AACACB
SCHEMBL5410860 0.84 S1PR1 (0.39) S1PR1MCHR1MEN1KMT2AACACB
SCHEMBL5399844 0.83 S1PR1 (0.52) S1PR1MEN1KMT2AACACBKMO
SCHEMBL5405665 0.83 S1PR1 (0.52) S1PR1MEN1KMT2AACACBKMO
SCHEMBL38661308 0.81 S1PR1 (0.43) S1PR1MEN1KMT2AACACBKMO
SCHEMBL5404687 0.78 TAS1R3 (0.39) S1PR1MCHR1MEN1KMT2ATAS1R3
SCHEMBL5404694 0.78 TAS1R3 (0.39) S1PR1MCHR1MEN1KMT2ATAS1R3
SCHEMBL5406913 0.76 TAS1R3 (0.42) S1PR1MEN1KMT2ATAS1R3TAS1R1

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 9 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-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
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 S1PR1 528/4885MCHR1 2947/4885MEN1 2555/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD S1PR1 1074/4885MCHR1 3968/4885MEN1 2039/4885

“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.