SCHEMBL5457708

SCHEMBL5457708

Cc1c(N2CCC(C(N)C(C)(C)C#N)C2)cc(N)c2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.35
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32

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
SCHEMBL5465103 0.90 KCNH2 (0.32) KCNH2
SCHEMBL5459327 0.89 KCNH2 (0.36) KCNH2
SCHEMBL5472778 0.86 KCNH2 (0.36) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5467128 0.85 KCNH2 (0.37) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5455611 0.85 KCNH2 (0.34) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5463190 0.82 KCNH2 (0.33) KCNH2
SCHEMBL5801886 0.81 KCNH2 (0.31) KCNH2
SCHEMBL5459596 0.81 KCNH2 (0.49) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5462427 0.80 KCNH2 (0.49) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5465299 0.79 KCNH2 (0.33) KCNH2

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-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US claimed
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP claimed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO claimed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 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-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL KCNH2 2633/4885CYP1A2 773/4885CYP3A4 815/4885

“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.