SCHEMBL7097015

SCHEMBL7097015

Cc1c(N2CCC(C(N)C(C)(C)O)C2)c(F)c(N)c2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.41
CACNA1C Q13936 2/20 0.33
SCN5A Q14524 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CACNA1F O60840 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 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
SCHEMBL6671601 0.94 KCNH2 (0.40) KCNH2CACNA1CSCN5ACYP1A2CYP3A4
SCHEMBL6673192 0.93 KCNH2 (0.42) KCNH2CACNA1CSCN5ACYP1A2CYP3A4
SCHEMBL6673108 0.91 KCNH2 (0.39) KCNH2CACNA1CSCN5ACYP1A2CYP3A4
SCHEMBL6668612 0.91 KCNH2 (0.41) KCNH2CACNA1CSCN5ACYP1A2CYP3A4
SCHEMBL6673651 0.90 KCNH2 (0.40) KCNH2CACNA1CSCN5ACYP1A2CYP3A4
SCHEMBL7093837 0.89 KCNH2 (0.40) KCNH2CACNA1CSCN5ACYP1A2CYP3A4
SCHEMBL6667889 0.89 KCNH2 (0.38) KCNH2CACNA1CSCN5ACYP1A2CYP3A4
SCHEMBL6674069 0.89 KCNH2 (0.39) KCNH2CACNA1CSCN5ACYP1A2CYP3A4
SCHEMBL6668941 0.86 KCNH2 (0.40) KCNH2CACNA1CSCN5ACYP1A2CYP3A4
SCHEMBL7096146 0.86 KCNH2 (0.41) KCNH2CACNA1CSCN5ACYP1A2CYP3A4

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 143/4885CACNA1C 3209/4885SCN5A 309/4885

“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.