SCHEMBL10063152

SCHEMBL10063152

O=C(NC(CO)Cc1ccccc1)c1cc(-c2ccncc2)c[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.64
ROCK1 Q13464 6/20 0.64
PRKACA P17612 3/20 0.64
PRKX P51817 3/20 0.64
PRKG1 Q13976 3/20 0.64
CLK4 Q9HAZ1 3/20 0.64
RPS6KA5 O75582 2/20 0.64
RPS6KA4 O75676 2/20 0.64
MAPK1 P28482 2/20 0.64
GSK3B P49841 2/20 0.64
LIMK1 P53667 2/20 0.64
IRAK1 P51617 2/20 0.64
PKN2 Q16513 2/20 0.64
GSK3A P49840 1/20 0.64
SGK2 Q9HBY8 1/20 0.64
GPR142 Q7Z601 13/20 0.58
AURKB Q96GD4 2/20 0.50
RPS6KB1 P23443 1/20 0.50
PRKG2 Q13237 1/20 0.50
HIPK4 Q8NE63 1/20 0.50

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
SCHEMBL15116260 1.00 ROCK2 (0.64) ROCK2ROCK1PRKACAPRKXPRKG1
SCHEMBL10063170 0.80 POLB (0.51) GPR142AURKBAURKATTKITK
SCHEMBL15116264 0.80 POLB (0.51) GPR142AURKBAURKATTKITK
SCHEMBL10063122 0.80 ROCK2 (0.59) ROCK2ROCK1PRKACAPRKXPRKG1
SCHEMBL3102214 0.78 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKXPRKG1
SCHEMBL3092785 0.78 ROCK1 (1.00) ROCK2ROCK1PRKACAPRKXPRKG1
SCHEMBL3104425 0.78 ROCK1 (1.00) ROCK2ROCK1PRKACAPRKXPRKG1
SCHEMBL10063108 0.78 GPR142 (0.57) ROCK2ROCK1MAPK1GPR142AURKB
SCHEMBL10063136 0.76 MCL1 (0.57) ROCK2ROCK1GPR142AURKBAURKA
SCHEMBL15850171 0.76 ITK (0.67) GPR142AURKBAURKATTKITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338597-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 US disclosed
US-8338597-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 US disclosed
US-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-26 US disclosed
US-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-26 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-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ROCK2 442/4885ROCK1 441/4885PRKACA 61/4885

“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.