SCHEMBL5457750

SCHEMBL5457750

Cc1c(N2CCC(C)(CN(C)CCC#N)C2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.37
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
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
SCHEMBL5801602 0.93 KCNH2 (0.35) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5453097 0.91 KCNH2 (0.38) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5469009 0.90 KCNH2 (0.34) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5459809 0.85 KCNH2 (0.38) KCNH2SCN5A
SCHEMBL5462489 0.85 KCNH2 (0.41) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5470818 0.85 JAK2 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL6670629 0.82 KCNH2 (0.44) KCNH2SCN5A
SCHEMBL5469112 0.81 KCNH2 (0.34) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5462476 0.81 KCNH2 (0.41) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5450793 0.80 KCNH2 (0.40) KCNH2JAK2JAK1TYK2JAK3

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-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US 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 2633/4885JAK2 4764/4885JAK1 4791/4885

“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.