SCHEMBL4914529

SCHEMBL4914529

CC(C)(C)c1n[nH]cc1CNC(=O)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.53
ROCK1 Q13464 11/20 0.53
PRKACA P17612 2/20 0.51
GSK3A P49840 2/20 0.51
GSK3B P49841 2/20 0.51
PRKX P51817 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
RPS6KA5 O75582 1/20 0.51
MAP4K4 O95819 1/20 0.51
PRKCG P05129 1/20 0.51
RPS6KB1 P23443 1/20 0.51
MAPK1 P28482 1/20 0.51
AKT1 P31749 1/20 0.51
PRKCD Q05655 1/20 0.51
PRKG2 Q13237 1/20 0.51
DYRK1A Q13627 1/20 0.51
PRKG1 Q13976 1/20 0.51
PKN2 Q16513 1/20 0.51
CDC42BPA Q5VT25 1/20 0.51
SGK2 Q9HBY8 1/20 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
SCHEMBL4914520 0.83 TRPV1 (0.52) HTTLMNAKMT2A
SCHEMBL4918266 0.82 NPC1 (0.44) ROCK2EPHX2NR1H4HTTLMNA
SCHEMBL4915724 0.81 EPHX2 (0.39) HDAC6EPHX2NR1H4LMNAKMT2A
SCHEMBL4914813 0.80 TP53 (0.46)
SCHEMBL3637475 0.79 ROCK2 (0.41) ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL28986037 0.72 RAB9A (0.58) EPHX2NR1H4HTTLMNAKMT2A
SCHEMBL30828595 0.70 MMP13 (0.88) ROCK2ROCK1PRKACAGSK3AGSK3B
SCHEMBL4908151 0.69 EPHX2 (0.59) EPHX2KMT2A
SCHEMBL28986010 0.68 LMNA (0.50) MMP13HTTLMNA
SCHEMBL3812691 0.68 ROCK2 (1.00) ROCK2ROCK1PRKACAGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 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-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 ROCK2 2286/4885ROCK1 3905/4885PRKACA 4197/4885

“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.