SCHEMBL4849283

SCHEMBL4849283

Cc1c(F)cc(-c2ccc(CNCCN3CCOCC3)cc2)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 1/20 0.52
▸ CYP2D6 P10635 4/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ POLB P06746 2/20 0.43
▸ CD274 Q9NZQ7 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4848003 0.93 CYP2C19 (0.54) TNKS2CYP2D6CYP3A4CYP2C19POLB
SCHEMBL4846025 0.90 DPP7 (0.51) TNKS2CYP2D6CYP3A4CD274KMT2A
SCHEMBL3545636 0.88 DPP7 (0.50) TNKS2CD274KMT2AMAP4K4
SCHEMBL4846945 0.83 SCN5A (0.45) CYP2D6CYP3A4CYP2C19KMT2A
SCHEMBL4847988 0.82 SCN5A (0.47) CYP2D6CYP3A4CYP2C19
SCHEMBL4718266 0.80 ALDH1A1 (0.40) POLBCD274MEN1KMT2AALDH1A1
SCHEMBL3166127 0.78 CYP2D6 (0.65) TNKS2CYP2D6CYP3A4CYP2C19POLB
SCHEMBL12093346 0.77 POLB (0.60) TNKS2CYP2D6CYP3A4CYP2C19POLB
SCHEMBL4246716 0.75 DPP7 (0.60) TNKS2CYP2D6CYP3A4CYP2C19POLB
SCHEMBL4423135 0.74 POLB (0.58) TNKS2CYP2D6CYP3A4CYP2C19POLB

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 TNKS2 836/4885CYP2D6 1274/4885CYP3A4 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.

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