SCHEMBL4844832

SCHEMBL4844832

CCN(CC)CCCNCc1ccc(-c2cc(F)c(C)c(F)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 3/20 0.42
▸ PDCD1 Q15116 2/20 0.42
▸ HRH4 Q9H3N8 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CHRM2 P08172 3/20 0.36
▸ PDCD1LG2 Q9BQ51 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ AVPR1B P47901 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SCN8A Q9UQD0 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL3537091 0.93 CD274 (0.41) CD274PDCD1HRH4HRH3MEN1
SCHEMBL6304885 0.88 CD274 (0.44) CD274PDCD1HRH4HRH3CHRM2
SCHEMBL6313158 0.79 SMN1; SMN2 (0.41) CD274PDCD1HRH4HRH3MEN1
SCHEMBL3540435 0.77 CD274 (0.42) CD274PDCD1MEN1KMT2ALMNA
SCHEMBL4846945 0.76 SCN5A (0.45) KMT2ACYP2D6CYP2C19HDAC1
SCHEMBL4713265 0.76 CD274 (0.42) CD274PDCD1HRH4HRH3CHRM2
Tert-Butylamine SCHEMBL3542895 0.76 CD274 (0.38) CD274PDCD1HRH4HRH3KMT2A
SCHEMBL5867340 0.75 S1PR1 (0.39) CD274HRH3MEN1KMT2ACHRM2
SCHEMBL4847988 0.75 SCN5A (0.47) CYP2D6CYP2C19HDAC1
SCHEMBL3540616 0.75 SMN1; SMN2 (0.39) CD274MEN1KMT2ALMNASMN1; SMN2

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 5 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
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 — — EP disclosed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 — — 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 (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 3680/4885HRH4 1494/4885

“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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