SCHEMBL559799

SCHEMBL559799

CC(C)(CO)NC(=O)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.46
CDK2 P24941 6/20 0.46
MAPK1 P28482 5/20 0.46
ABL1 P00519 1/20 0.45
MAPK8 P45983 4/20 0.44
MAPK9 P45984 2/20 0.44
MAPK10 P53779 2/20 0.43
CNR2 P34972 1/20 0.43
CDK7 P50613 3/20 0.42
CCNH P51946 3/20 0.42
MNAT1 P51948 3/20 0.42
RIPK2 O43353 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
SCHEMBL2259965 1.00 CCNE1 (0.46) CCNE1CDK2MAPK1ABL1MAPK8
SCHEMBL559182 0.92 CDK2 (0.50) CCNE1CDK2MAPK1ABL1CDK7
SCHEMBL559005 0.92 CDK2 (0.50) CCNE1CDK2MAPK1ABL1CNR2
SCHEMBL559618 0.91 CDK2 (0.49) CCNE1CDK2MAPK1ABL1CDK7
SCHEMBL558731 0.85 MAPK1 (0.46) CCNE1CDK2MAPK1MAPK9MAPK10
SCHEMBL2259198 0.85 MAPK1 (0.46) CCNE1CDK2MAPK1MAPK9MAPK10
SCHEMBL560324 0.84 CDK7 (0.55) CCNE1CDK2MAPK1MAPK8MAPK9
SCHEMBL560325 0.84 CDK7 (0.55) CCNE1CDK2MAPK1MAPK8MAPK9
SCHEMBL2263303 0.83 HPGDS (0.51) CCNE1CDK2MAPK1MAPK8MAPK9
SCHEMBL559092 0.83 HPGDS (0.51) CCNE1CDK2MAPK1MAPK8MAPK9

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 CCNE1 523/4885CDK2 125/4885MAPK1 1/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CCNE1 523/4885CDK2 125/4885MAPK1 1/4885

“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.