SCHEMBL5450719

SCHEMBL5450719

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.48
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
CYP3A4 P08684 2/20 0.33
ALK Q9UM73 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CACNA1C Q13936 1/20 0.30
SCN5A Q14524 1/20 0.30

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
SCHEMBL5823865 0.90 KCNH2 (0.43) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5450730 0.88 JAK2 (0.38) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5466639 0.88 KCNH2 (0.41) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5460508 0.88 KCNH2 (0.42) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5465186 0.87 KCNH2 (0.46) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5455732 0.87 KCNH2 (0.43) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5461882 0.87 KCNH2 (0.43) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5454102 0.84 KCNH2 (0.38) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5458199 0.84 KCNH2 (0.48) KCNH2CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL5460712 0.84 KCNH2 (0.49) KCNH2CYP3A4CYP1A2CYP2D6CYP2C9

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
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
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO 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.