SCHEMBL4846025

SCHEMBL4846025

Cc1c(F)cc(-c2ccc(CNCCN3CCCC3)cc2)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.51
▸ KMT2A Q03164 1/20 0.45
▸ MCHR1 Q99705 1/20 0.44
▸ SLC2A1 P11166 2/20 0.42
▸ CHEK1 O14757 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ SIGMAR1 Q99720 3/20 0.40
▸ CHKA P35790 2/20 0.39
▸ PDCD1 Q15116 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ APP P05067 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL3545636 0.99 DPP7 (0.50) DPP7KMT2AMCHR1SLC2A1CHEK1
SCHEMBL4846945 0.93 SCN5A (0.45) DPP7KMT2AMCHR1SLC2A1HTR3A
SCHEMBL4847988 0.92 SCN5A (0.47) DPP7MCHR1HTR3ACYP3A4CYP2D6
SCHEMBL4849283 0.90 TNKS2 (0.52) KMT2ATNKS2CD274MAP4K4CYP3A4
SCHEMBL4848003 0.83 CYP2C19 (0.54) KMT2ATNKS2CD274PARP1CYP3A4
SCHEMBL3165932 0.77 DPP7 (0.82) DPP7KMT2AMCHR1SIGMAR1APP
SCHEMBL4713265 0.76 CD274 (0.42) PDCD1CD274CYP2D6
SCHEMBL14385453 0.75 DPP7 (0.70) DPP7KMT2AMCHR1SLC2A1SIGMAR1
SCHEMBL6304885 0.75 CD274 (0.44) SIGMAR1PDCD1CD274
SCHEMBL3537091 0.75 CD274 (0.41) KMT2APDCD1CD274

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 DPP7 312/4885KMT2A 2798/4885MCHR1 4485/4885

“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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