SCHEMBL559507

SCHEMBL559507

O=C(c1ccc2cnc(NC3CCC(O)CC3)nc2c1)N1CCC[C@H]1CO

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.59
CCNE1 P24864 8/20 0.59
MAPK8 P45983 2/20 0.45
MAPK10 P53779 1/20 0.45
CDK7 P50613 8/20 0.45
CCNH P51946 8/20 0.45
MNAT1 P51948 8/20 0.45
CCNK O75909 7/20 0.45
CCNA2 P20248 7/20 0.45
CDK12 Q9NYV4 7/20 0.45
VNN1 O95497 1/20 0.45
ROCK2 O75116 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
SCHEMBL558710 1.00 CDK2 (0.59) CDK2CCNE1MAPK8MAPK10CDK7
SCHEMBL559506 1.00 CDK2 (0.59) CDK2CCNE1MAPK8MAPK10CDK7
SCHEMBL558711 1.00 CDK2 (0.59) CDK2CCNE1MAPK8MAPK10CDK7
SCHEMBL558517 0.78 CSNK2A1 (0.58) CDK2CCNE1MAPK8MAPK10CDK7
SCHEMBL558518 0.78 CSNK2A1 (0.58) CDK2CCNE1MAPK8MAPK10CDK7
SCHEMBL10207543 0.77 CDK7 (0.54) CDK2CCNE1MAPK8MAPK10CDK7
SCHEMBL23637039 0.77 VNN1 (0.52) CDK2CCNE1VNN1ROCK2
SCHEMBL559398 0.77 MCHR1 (0.46) CDK2CCNE1MAPK8MAPK10CDK7
SCHEMBL558934 0.77 MCHR1 (0.46) CDK2CCNE1MAPK8MAPK10CDK7
SCHEMBL2262106 0.77 MCHR1 (0.46) CDK2CCNE1MAPK8MAPK10CDK7

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 CDK2 125/4885CCNE1 523/4885MAPK8 20/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CDK2 125/4885CCNE1 523/4885MAPK8 20/4885

“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.