SCHEMBL558649

SCHEMBL558649

CC(C)Nc1ncc2ccc(C(=O)N[C@H](CO)Cc3ccccc3)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.50
ROCK2 O75116 4/20 0.50
ROCK1 Q13464 3/20 0.50
RPS6KA5 O75582 1/20 0.50
RPS6KA4 O75676 1/20 0.50
PRKACA P17612 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
IRAK1 P51617 1/20 0.50
PRKX P51817 1/20 0.50
PRKG1 Q13976 1/20 0.50
PKN2 Q16513 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
SGK2 Q9HBY8 1/20 0.50
CYP3A4 P08684 1/20 0.46
PIN1 Q13526 3/20 0.44
BACE1 P56817 1/20 0.43
GCG P01275 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL559368 0.87 MAPK1 (0.47) MAPK1GCG
SCHEMBL558922 0.86 GCG (0.51) MAPK1GCG
SCHEMBL559010 0.85 MAPK1 (0.51) MAPK1ROCK2ROCK1RPS6KA5RPS6KA4
SCHEMBL559258 0.85 MAPK1 (0.51) MAPK1ROCK2ROCK1RPS6KA5RPS6KA4
SCHEMBL559610 0.85 TAS1R3 (0.46) MAPK1GCG
SCHEMBL559253 0.85 MAPK1 (0.50) MAPK1ROCK2ROCK1RPS6KA5RPS6KA4
SCHEMBL559941 0.84 MAPK1 (0.51) MAPK1ROCK2ROCK1RPS6KA5PRKACA
SCHEMBL559100 0.84 MAPK1 (0.51) MAPK1ROCK2ROCK1RPS6KA5PRKACA
SCHEMBL558944 0.84 MAPK1 (0.53) MAPK1GCGNPC1RAB9A
SCHEMBL559953 0.82 MAPK1 (0.49) MAPK1ROCK2ROCK1RPS6KA5RPS6KA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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 (2 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK1 1/4885ROCK2 600/4885ROCK1 307/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK1 1/4885ROCK2 600/4885ROCK1 307/4885

“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.