SCHEMBL4848003

SCHEMBL4848003

Cc1c(F)cc(-c2ccc(CNCCCN3CCOCC3)cc2)c(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ TNKS2 Q9H2K2 1/20 0.45
▸ CD274 Q9NZQ7 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41

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
SCHEMBL4849283 0.93 TNKS2 (0.52) CYP2C19CYP3A4CYP2D6MEN1KMT2A
SCHEMBL4846945 0.90 SCN5A (0.45) CYP2C19CYP3A4CYP2D6KMT2A
SCHEMBL4847988 0.89 SCN5A (0.47) CYP2C19CYP3A4CYP2D6
SCHEMBL4846025 0.83 DPP7 (0.51) CYP3A4CYP2D6KMT2ATNKS2CD274
SCHEMBL3545636 0.82 DPP7 (0.50) KMT2ATNKS2CD274PARP1
SCHEMBL3175221 0.79 CYP2C19 (0.80) CYP2C19CYP3A4CYP2D6MEN1KMT2A
SCHEMBL3997594 0.78 CYP2C19 (0.70) CYP2C19CYP3A4CYP2D6MEN1KMT2A
SCHEMBL4718266 0.78 ALDH1A1 (0.40) MEN1KMT2ACD274ALDH1A1LMNA
SCHEMBL3179723 0.77 CYP2C19 (0.76) CYP2C19CYP3A4CYP2D6MEN1KMT2A
SCHEMBL3181193 0.76 CYP2C19 (0.70) CYP2C19CYP3A4CYP2D6MEN1KMT2A

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 3 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-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 CYP2C19 1015/4885CYP3A4 2055/4885CYP2D6 1274/4885

“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.

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