SCHEMBL5455451

SCHEMBL5455451

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
JAK2 O60674 6/20 0.41
TYK2 P29597 6/20 0.41
JAK3 P52333 6/20 0.41
JAK1 P23458 5/20 0.41
PLD2 O14939 1/20 0.32
PLD1 Q13393 1/20 0.32
ENPP1 P22413 1/20 0.31
CYP3A4 P08684 2/20 0.30
ALK Q9UM73 1/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5469151 0.89 JAK2 (0.42) KCNH2JAK2TYK2JAK3JAK1
SCHEMBL5465077 0.85 KCNH2 (0.45) KCNH2JAK2TYK2JAK3JAK1
SCHEMBL5460601 0.84 KCNH2 (0.42) KCNH2JAK2TYK2JAK3JAK1
SCHEMBL5462521 0.84 KCNH2 (0.44) KCNH2JAK2TYK2JAK3JAK1
SCHEMBL5460702 0.84 JAK2 (0.38) KCNH2JAK2TYK2JAK3JAK1
SCHEMBL5460508 0.84 KCNH2 (0.42) KCNH2JAK2TYK2JAK3JAK1
SCHEMBL5453164 0.83 KCNH2 (0.41) KCNH2JAK2TYK2JAK3JAK1
SCHEMBL14443783 0.82 JAK2 (0.38) KCNH2JAK2TYK2JAK3JAK1
SCHEMBL5450719 0.80 KCNH2 (0.48) KCNH2JAK2TYK2JAK3JAK1
SCHEMBL5455097 0.80 KCNH2 (0.39) KCNH2JAK2TYK2JAK3JAK1

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 7 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
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 4764/4885TYK2 4814/4885

“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.