SCHEMBL5405665

SCHEMBL5405665

Clc1cc(OC2CCCCC2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.52
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LOX P28300 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
KMO O15229 5/20 0.41
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
JAK3 P52333 2/20 0.39
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
ACACB O00763 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
CSNK2A1 P68400 1/20 0.34

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
SCHEMBL5399844 1.00 S1PR1 (0.52) S1PR1MEN1KMT2ALOXLOXL2
SCHEMBL557714 0.98 S1PR1 (0.50) S1PR1MEN1KMT2ALOXLOXL2
SCHEMBL38661308 0.91 S1PR1 (0.43) S1PR1MEN1KMT2ALOXLOXL2
SCHEMBL5402702 0.83 S1PR1 (0.40) S1PR1MEN1KMT2ALOXLOXL2
SCHEMBL5410860 0.83 S1PR1 (0.39) S1PR1MEN1KMT2ALOXLOXL2
SCHEMBL5410863 0.83 S1PR1 (0.39) S1PR1MEN1KMT2ALOXLOXL2
SCHEMBL8512309 0.83 ROCK1 (0.40) S1PR1MEN1KMT2A
SCHEMBL5415896 0.83 S1PR1 (0.39) S1PR1MEN1KMT2ALOXLOXL2
Hydrochloric Acid SCHEMBL17559431 0.81 ROCK1 (0.39) S1PR1
SCHEMBL23280464 0.80 EGFR (0.39) S1PR1ACACB

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 6 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 claimed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US claimed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP claimed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US claimed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP claimed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 WO claimed

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 528/4885MEN1 2555/4885KMT2A 2406/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD S1PR1 1074/4885MEN1 2039/4885KMT2A 1917/4885

“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.