SCHEMBL2903698

SCHEMBL2903698

C[C@@H](NC(=O)c1ccc2cc(C(C)(C)C)ccc2c1)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.56
ROCK2 O75116 8/20 0.54
ROCK1 Q13464 7/20 0.54
MAPK1 P28482 4/20 0.54
PRKG1 Q13976 4/20 0.54
PRKACA P17612 3/20 0.54
RPS6KB1 P23443 3/20 0.54
CDK2 P24941 3/20 0.54
GSK3A P49840 3/20 0.54
GSK3B P49841 3/20 0.54
PRKX P51817 3/20 0.54
PRKCD Q05655 3/20 0.54
PRKG2 Q13237 3/20 0.54
PKN2 Q16513 3/20 0.54
CLK4 Q9HAZ1 3/20 0.54
SGK2 Q9HBY8 3/20 0.54
RPS6KA5 O75582 2/20 0.54
CDK1 P06493 2/20 0.54
CDC42BPA Q5VT25 2/20 0.54
AKT1 P31749 2/20 0.54

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
SCHEMBL2750176 0.86 ROCK2 (0.52) NR1H4ROCK2ROCK1MAPK1PRKG1
SCHEMBL21467201 0.81 CYP17A1 (0.57) NR1H4ALDH1A1MEN1KMT2ALMNA
SCHEMBL2750327 0.81 NR1H4 (0.52) NR1H4MAPK1MEN1KMT2ALMNA
SCHEMBL2748995 0.81 NR1H4 (0.52) NR1H4MAPK1MEN1KMT2ALMNA
SCHEMBL4547701 0.78 NR1H4 (0.49) NR1H4ROCK2ROCK1MAPK1ALDH1A1
SCHEMBL4547700 0.78 NR1H4 (0.46) NR1H4MAPK1AKT1ALDH1A1MEN1
SCHEMBL263827 0.78 NR1H4 (0.48) NR1H4ROCK2ROCK1PRKG1RPS6KB1
SCHEMBL264134 0.77 NR1H4 (0.47) NR1H4ROCK2ROCK1MAPK1MEN1
SCHEMBL1644338 0.75 NR1H4 (0.48) NR1H4ROCK2ROCK1ALDH1A1LMNA
SCHEMBL1838548 0.75 BRPF1 (0.55) NR1H4ALDH1A1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178558-B2 Substituted pyridylmethyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-05-15 US disclosed
US-8178558-B2 Substituted pyridylmethyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-05-15 US disclosed
EP-2069302-B1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2010-08-25 EP disclosed
US-20090318497-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER, INC. 2009-12-24 US disclosed
US-20090318497-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER, INC. 2009-12-24 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-20090318497-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS CNR1, CNR2, HCAR3 NR1H4 665/4885ROCK2 4029/4885ROCK1 2768/4885

“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.