SCHEMBL4963177

SCHEMBL4963177

CS(=O)(=O)c1cccc(CNc2ccc3ncc(C#N)c(NC4CCCCCC4)c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.54
MAP3K8 P41279 8/20 0.47
PDE4B Q07343 2/20 0.47
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
PTK2 Q05397 1/20 0.42
STK4 Q13043 1/20 0.41
ROCK2 O75116 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL27707399 0.99 SRC (0.53) SRCMAP3K8PDE4BDYRK1ADYRK1B
SCHEMBL4960895 0.86 MAP3K8 (0.62) SRCMAP3K8DYRK1ADYRK1BROCK2
SCHEMBL27728186 0.85 SRC (0.61) SRCMAP3K8DYRK1ADYRK1B
SCHEMBL27707397 0.84 SRC (0.55) SRCMAP3K8DYRK1ADYRK1BCTSS
SCHEMBL4961427 0.84 MAP3K8 (0.63) SRCMAP3K8PDE4BDYRK1ADYRK1B
SCHEMBL27728202 0.84 MAP3K8 (0.52) MAP3K8PDE4BPTK2STK4
SCHEMBL4963365 0.83 SRC (0.77) SRCMAP3K8DYRK1ADYRK1B
SCHEMBL27707287 0.82 SRC (0.75) SRCMAP3K8DYRK1ADYRK1B
SCHEMBL6071866 0.79 MAP3K8 (0.76) MAP3K8
SCHEMBL27728200 0.78 MAP3K8 (0.61) SRCMAP3K8DYRK1ADYRK1BPTK2

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
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 SRC 1670/4885MAP3K8 84/4885PDE4B 1184/4885

“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.