SCHEMBL5455732

SCHEMBL5455732

COc1c(N2CCC(C(C)N(C)CCC#N)C2)ccc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
CYP3A4 P08684 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
SCHEMBL5820914 0.93 KCNH2 (0.40) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5461882 0.92 KCNH2 (0.43) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5465125 0.90 JAK2 (0.37) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5450719 0.87 KCNH2 (0.48) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5466811 0.86 KCNH2 (0.40) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5450731 0.85 KCNH2 (0.44) KCNH2CYP3A4
SCHEMBL5460676 0.85 KCNH2 (0.44) KCNH2CYP3A4
SCHEMBL5460508 0.85 KCNH2 (0.42) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5823865 0.84 KCNH2 (0.43) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5453164 0.84 KCNH2 (0.41) 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.