SCHEMBL4478426

SCHEMBL4478426

C=Cc1ccnc2ccc(C#N)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 4/20 0.46
CCNC P24863 2/20 0.46
GAK O14976 2/20 0.44
RIPK2 O43353 2/20 0.44
COQ8A Q8NI60 2/20 0.44
NLK Q9UBE8 2/20 0.44
SLC22A12 Q96S37 1/20 0.43
PDE5A O76074 1/20 0.39
MAPKAPK2 P49137 2/20 0.39
IRAK4 Q9NWZ3 3/20 0.39
MAP4K4 O95819 3/20 0.38
CDKN1A P38936 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
CDK5 Q00535 2/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36

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
SCHEMBL3400822 0.83 SLC22A12 (0.46) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL16289814 0.83 CDK8 (0.48) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL30369707 0.76 PDE5A (0.49) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL981901 0.76 CDK8 (0.51) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL633785 0.76 CDK8 (0.48) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL23625624 0.76 CDK8 (0.48) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL730084 0.76 PDE5A (0.49) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL29843629 0.76 SLC22A12 (0.51) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL29843782 0.76 CDK8 (0.48) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL3582506 0.76 NR4A2 (0.56) CDK8CCNCGAKRIPK2COQ8A

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-7498326-B2 Compounds GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
WO-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
WO-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic GLAXO GROUP LIMITED (GB) 2006-03-16 US disclosed
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 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-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic TLR1, TLR2, TLR6 CDK8 2594/4885CCNC 3694/4885GAK 1150/4885

“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.