SCHEMBL4713265

SCHEMBL4713265

Cc1c(F)cc(-c2ccc(CNCCNC(C)(C)C)cc2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 7/20 0.42
▸ PDCD1 Q15116 4/20 0.42
▸ PDCD1LG2 Q9BQ51 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ VSIR Q9H7M9 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ HTR2A P28223 1/20 0.31

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
Tert-Butylamine SCHEMBL3542895 0.81 CD274 (0.38) CD274PDCD1PDCD1LG2HRH4HRH3
SCHEMBL6304885 0.78 CD274 (0.44) CD274PDCD1PDCD1LG2HRH4HRH3
SCHEMBL3537091 0.78 CD274 (0.41) CD274PDCD1PDCD1LG2HRH4HRH3
SCHEMBL4846025 0.76 DPP7 (0.51) CD274PDCD1CYP2D6
SCHEMBL4844832 0.76 CD274 (0.42) CD274PDCD1PDCD1LG2HRH4HRH3
SCHEMBL3545636 0.75 DPP7 (0.50) CD274PDCD1HRH3
SCHEMBL4847678 0.74 GYS1 (0.37) CD274PDCD1VSIR
SCHEMBL4846945 0.74 SCN5A (0.45) CYP2D6
SCHEMBL4849283 0.73 TNKS2 (0.52) CD274L3MBTL1CYP2D6
SCHEMBL4847988 0.73 SCN5A (0.47) CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 — — US disclosed
EP-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 — — EP disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 — — US 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 (1 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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B CD274 4190/4885PDCD1 3680/4885PDCD1LG2 3898/4885

“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.

Send feedback