SCHEMBL558222

SCHEMBL558222

CC(=O)N1CC[C@@H](NC(=O)c2ccc3cnc(N[C@H]4CC[C@H](O)CC4)nc3c2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 15/20 0.53
CCNH P51946 15/20 0.53
MNAT1 P51948 15/20 0.53
CDK2 P24941 15/20 0.52
CCNE1 P24864 5/20 0.52
CCNA2 P20248 10/20 0.49
CCNK O75909 6/20 0.49
CDK12 Q9NYV4 6/20 0.49

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
SCHEMBL558223 1.00 CDK7 (0.53) CDK7CCNHMNAT1CDK2CCNE1
SCHEMBL2255518 0.94 CDK2 (0.54) CDK7CCNHMNAT1CDK2CCNE1
SCHEMBL558878 0.94 CDK2 (0.54) CDK7CCNHMNAT1CDK2CCNE1
SCHEMBL559412 0.89 CDK7 (0.54) CDK7CCNHMNAT1CDK2CCNE1
SCHEMBL559413 0.89 CDK7 (0.54) CDK7CCNHMNAT1CDK2CCNE1
SCHEMBL10166442 0.89 CDK7 (0.54) CDK7CCNHMNAT1CDK2CCNE1
SCHEMBL12361738 0.89 CDK7 (0.54) CDK7CCNHMNAT1CDK2CCNE1
SCHEMBL559092 0.86 HPGDS (0.51) CDK2CCNE1
SCHEMBL2263303 0.86 HPGDS (0.51) CDK2CCNE1
SCHEMBL559499 0.84 FLT3 (0.55) CDK7CCNHMNAT1CDK2CCNE1

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 CDK7 660/4885CCNH 2591/4885MNAT1 173/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CDK7 660/4885CCNH 2591/4885MNAT1 173/4885

“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.