SCHEMBL559100

SCHEMBL559100

CC(C)Nc1ncc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.51
GCG P01275 1/20 0.49
CDK2 P24941 2/20 0.49
CCNE1 P24864 1/20 0.49
ROCK2 O75116 8/20 0.47
ROCK1 Q13464 3/20 0.47
PAK4 O96013 2/20 0.47
MAPK13 O15264 1/20 0.47
RPS6KA5 O75582 1/20 0.47
MAP4K4 O95819 1/20 0.47
PRKCG P05129 1/20 0.47
CDK1 P06493 1/20 0.47
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
AKT1 P31749 1/20 0.47
AKT2 P31751 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
IRAK1 P51617 1/20 0.47

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
SCHEMBL559941 1.00 MAPK1 (0.51) MAPK1GCGCDK2CCNE1ROCK2
SCHEMBL558944 0.85 MAPK1 (0.53) MAPK1GCGCDK2CCNE1MAP4K4
SCHEMBL558649 0.84 MAPK1 (0.50) MAPK1GCGROCK2ROCK1PAK4
SCHEMBL560224 0.84 MAPK1 (0.63) MAPK1CDK2CCNE1ROCK2ROCK1
SCHEMBL558379 0.84 MAPK1 (0.63) MAPK1CDK2CCNE1ROCK2ROCK1
SCHEMBL558995 0.84 MAPK1 (0.63) MAPK1CDK2CCNE1ROCK2ROCK1
SCHEMBL558194 0.84 MAPK1 (0.63) MAPK1CDK2CCNE1ROCK2ROCK1
SCHEMBL558907 0.83 MAPK1 (0.62) MAPK1CDK2CCNE1ROCK2ROCK1
SCHEMBL558360 0.83 MAPK1 (0.47) MAPK1GCGCDK2CCNE1
SCHEMBL559368 0.82 MAPK1 (0.47) MAPK1GCGCDK2CCNE1CDK5

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 10 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
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO 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 1/4885GCG 598/4885CDK2 125/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK1 1/4885GCG 598/4885CDK2 125/4885

“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.