SCHEMBL657753

SCHEMBL657753

CC(C)(C)c1cc(C(OC(N)=O)c2ccccc2)n(-c2ccccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.43
PLK4 O00444 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
INSR P06213 1/20 0.42
ROS1 P08922 1/20 0.42
PIM1 P11309 1/20 0.42
PHKG2 P15735 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AKT1 P31749 1/20 0.42
FLT3 P36888 1/20 0.42
CSNK1D P48730 1/20 0.42
CLK2 P49760 1/20 0.42
IRAK1 P51617 1/20 0.42
CDK5 Q00535 1/20 0.42
MAP4K2 Q12851 1/20 0.42
STK3 Q13188 1/20 0.42
PRKG2 Q13237 1/20 0.42

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
SCHEMBL660095 0.80 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL657904 0.80 TRPV1 (0.46) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL659101 0.76 TRPV1 (0.42) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL2788198 0.75 GRN (0.51) MAPK14PLK4ROCK2RPS6KA5MAP4K4
SCHEMBL16768793 0.70 MAPK14 (0.49) MAPK14PLK4ROCK2RPS6KA5MAP4K4
SCHEMBL4077901 0.70 MAPK14 (0.52) MAPK14PLK4ROCK2RPS6KA5MAP4K4
SCHEMBL29396393 0.70 MAPT (0.47) MAPK14PLK4ROCK2RPS6KA5MAP4K4
SCHEMBL1013458 0.70 MAPT (0.47) MAPK14PLK4ROCK2RPS6KA5MAP4K4
SCHEMBL1012775 0.70 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL659630 0.70 KLKB1 (0.49) MAPK14MAPK13MAPK12MAPK11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor GRUENENTHAL GMBH (DE) 2012-02-23 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-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor TRPV1, CNR1, CNR2 MAPK14 1401/4885PLK4 4706/4885ROCK2 4799/4885

“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.