SCHEMBL4717475

SCHEMBL4717475

FC(F)(F)c1ccc(-c2ccc(CNCCN3CCOCC3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.62
TNKS2 Q9H2K2 1/20 0.55
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
EPHX2 P34913 7/20 0.52
HIF1A Q16665 2/20 0.50
EPAS1 Q99814 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
HRH3 Q9Y5N1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4718156 0.92 CYP2C19 (0.64) CD274TNKS2CYP3A4CYP2D6CYP2C19
SCHEMBL3456158 0.88 DPP7 (0.59) CD274CYP3A4CYP2D6EPHX2ALDH1A1
SCHEMBL3458281 0.86 DPP7 (0.57) CD274CYP3A4CYP2D6EPHX2ALDH1A1
SCHEMBL3166127 0.84 CYP2D6 (0.65) TNKS2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL4246716 0.83 DPP7 (0.60) CD274TNKS2CYP3A4CYP2D6CYP2C19
SCHEMBL4423135 0.82 POLB (0.58) CD274TNKS2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL5754540 0.82 DPP7 (0.62) CYP3A4CYP2D6EPHX2ALDH1A1HRH3
Hydrochloric Acid SCHEMBL5754920 0.81 DPP7 (0.60) CYP3A4CYP2D6EPHX2ALDH1A1HRH3
SCHEMBL4718128 0.80 CACNA1B (0.52) CYP3A4CYP2D6CYP2C19EPHX2ALDH1A1
SCHEMBL4717385 0.79 CACNA1B (0.53) CYP3A4CYP2D6CYP2C19ALDH1A1HRH3

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 8 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
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed
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-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 US 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 4190/4885TNKS2 836/4885CYP3A4 2055/4885

“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.