SCHEMBL558339

SCHEMBL558339

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 13/20 0.51
CCNE1 P24864 5/20 0.51
CDK2 P24941 5/20 0.51
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
MNAT1 P51948 1/20 0.44
MAST3 O60307 1/20 0.43
MAPK8 P45983 1/20 0.43

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
SCHEMBL2260487 1.00 MAPK1 (0.51) MAPK1CCNE1CDK2TAS1R3TAS1R1
SCHEMBL10166410 1.00 MAPK1 (0.51) MAPK1CCNE1CDK2TAS1R3TAS1R1
SCHEMBL558579 1.00 MAPK1 (0.51) MAPK1CCNE1CDK2TAS1R3TAS1R1
SCHEMBL2260067 1.00 MAPK1 (0.51) MAPK1CCNE1CDK2TAS1R3TAS1R1
SCHEMBL2255931 0.93 MAPK1 (0.52) MAPK1CCNE1CDK2MAPK8
SCHEMBL558800 0.93 MAPK1 (0.52) MAPK1CCNE1CDK2MAPK8
SCHEMBL559266 0.93 MAPK1 (0.52) MAPK1CCNE1CDK2CDK7CCNH
SCHEMBL559764 0.93 MAPK1 (0.52) MAPK1CCNE1CDK2CDK7CCNH
SCHEMBL558887 0.92 MAPK1 (0.51) MAPK1CCNE1CDK2CDK7CCNH
SCHEMBL2333969 0.89 MAPK1 (0.51) MAPK1CCNE1CDK2MAPK8

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 3 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-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

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