SCHEMBL7096582

SCHEMBL7096582

COc1c(F)c(N2CCC(C(N)C=C(C(F)(F)F)C(F)(F)F)C2)c(C)c2c1c(=O)[nH]c(=O)n2C1CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.38
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31

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
SCHEMBL7095110 0.90 KCNH2 (0.36) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7096476 0.90 KCNH2 (0.42) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7093057 0.89 KCNH2 (0.39) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7097328 0.88 KCNH2 (0.38) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6672451 0.88 KCNH2 (0.40) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7093478 0.87 KCNH2 (0.36) KCNH2
SCHEMBL7141076 0.86 KCNH2 (0.39) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7093368 0.86 KCNH2 (0.39) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7094250 0.86 KCNH2 (0.37) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7092849 0.85 KCNH2 (0.37) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 US claimed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 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-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance ABCC1, RPS6KA1, SIGMAR1 KCNH2 143/4885CYP1A2 366/4885CYP3A4 240/4885

“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.