SCHEMBL10063181

SCHEMBL10063181

COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccncc3)c[nH]c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.55
AURKB Q96GD4 2/20 0.55
INCENP Q9NQS7 1/20 0.55
ROCK1 Q13464 10/20 0.51
ROCK2 O75116 7/20 0.51
PRKACA P17612 4/20 0.51
GSK3A P49840 4/20 0.51
GSK3B P49841 4/20 0.51
PRKX P51817 4/20 0.51
PRKG1 Q13976 3/20 0.51
CLK4 Q9HAZ1 3/20 0.51
PRKCQ Q04759 3/20 0.51
PRKCG P05129 2/20 0.51
RPS6KB1 P23443 2/20 0.51
CDK2 P24941 2/20 0.51
MAPK1 P28482 2/20 0.51
AKT2 P31751 2/20 0.51
PRKCD Q05655 2/20 0.51
PRKG2 Q13237 2/20 0.51
PKN2 Q16513 2/20 0.51

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
SCHEMBL10063251 1.00 TTK (0.55) TTKAURKBINCENPROCK1ROCK2
SCHEMBL10063120 0.82 ITK (0.64) TTKAURKBINCENPCYP3A4GPR142
SCHEMBL13987009 0.82 GSK3B (0.54) AURKBROCK1ROCK2PRKACAGSK3A
SCHEMBL10063145 0.79 ITK (0.51) TTKAURKBINCENPCYP3A4CYP2D6
SCHEMBL3104229 0.79 ROCK1 (0.59) ROCK1ROCK2PRKACAGSK3AGSK3B
SCHEMBL3110316 0.79 ROCK1 (0.59) ROCK1ROCK2PRKACAGSK3AGSK3B
SCHEMBL3102089 0.79 ROCK1 (0.58) AURKBROCK1ROCK2PRKACAGSK3A
SCHEMBL3109362 0.78 ROCK1 (0.74) AURKBROCK1ROCK2PRKACAGSK3A
SCHEMBL15116262 0.78 ITK (0.50) TTKAURKBINCENPCYP3A4CYP2D6
SCHEMBL10063158 0.78 ITK (0.50) TTKAURKBINCENPCYP3A4CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-8101770-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 US disclosed
US-8101770-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 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-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 TTK 242/4885AURKB 167/4885INCENP 1903/4885

“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.