SCHEMBL269208

SCHEMBL269208

CC(C)(C)NCc1ccc2[nH]ncc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.55
MAOB P27338 1/20 0.45
ROCK2 O75116 4/20 0.45
ROCK1 Q13464 4/20 0.45
NOS1 P29475 3/20 0.45
CSNK2A1 P68400 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
METAP2 P50579 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CLK4 Q9HAZ1 5/20 0.44
CLK2 P49760 4/20 0.44
DYRK1A Q13627 4/20 0.44

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
SCHEMBL14867652 0.88 INSR (0.50) MAPK1NOS1MEN1KMT2AMETAP2
SCHEMBL13605404 0.82 MAPK1 (0.58) MAPK1MAOBROCK2ROCK1NOS1
SCHEMBL12867017 0.79 ROCK1 (0.53) MAPK1MAOBROCK2ROCK1NOS1
SCHEMBL10210705 0.79 MAPK1 (0.62) MAPK1MAOBROCK2ROCK1NOS1
SCHEMBL764032 0.76 CDC7 (0.55) MAPK1MAOBROCK2ROCK1NOS1
SCHEMBL4569259 0.76 NOS1 (0.46) MAPK1MAOBROCK2ROCK1NOS1
SCHEMBL21387793 0.76 MAPK1 (0.71) MAPK1MAOBROCK2ROCK1CSNK2A1
SCHEMBL8666610 0.76 NOS1 (0.57) MAPK1MAOBROCK2ROCK1NOS1
SCHEMBL10165007 0.76 MAPK1 (0.62) MAPK1MAOBROCK2ROCK1CSNK2A1
SCHEMBL25097633 0.75 NOS1 (0.45) MAPK1MAOBROCK2ROCK1NOS1

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-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 MAPK1 1388/4885MAOB 2729/4885ROCK2 4650/4885

“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.