SCHEMBL558878

SCHEMBL558878

CC(=O)N1CCC(NC(=O)c2ccc3cnc(N[C@H]4CC[C@H](O)CC4)nc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.54
CCNE1 P24864 5/20 0.54
HPGDS O60760 2/20 0.52
CDK7 P50613 10/20 0.51
CCNH P51946 10/20 0.51
MNAT1 P51948 10/20 0.51
CCNA2 P20248 5/20 0.47
CCNK O75909 3/20 0.46
CDK12 Q9NYV4 3/20 0.46
BMPR1B O00238 1/20 0.46
BMPR1A P36894 1/20 0.46
ACVRL1 P37023 1/20 0.46
ACVR1 Q04771 1/20 0.46
MCHR1 Q99705 1/20 0.46

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
SCHEMBL2255518 1.00 CDK2 (0.54) CDK2CCNE1HPGDSCDK7CCNH
SCHEMBL558223 0.94 CDK7 (0.53) CDK2CCNE1CDK7CCNHMNAT1
SCHEMBL558222 0.94 CDK7 (0.53) CDK2CCNE1CDK7CCNHMNAT1
SCHEMBL559092 0.90 HPGDS (0.51) CDK2CCNE1HPGDSBMPR1BBMPR1A
SCHEMBL2263303 0.90 HPGDS (0.51) CDK2CCNE1HPGDSBMPR1BBMPR1A
SCHEMBL559499 0.87 FLT3 (0.55) CDK2CCNE1CDK7CCNHMNAT1
SCHEMBL2257744 0.87 FLT3 (0.55) CDK2CCNE1CDK7CCNHMNAT1
SCHEMBL559412 0.85 CDK7 (0.54) CDK2CCNE1CDK7CCNHMNAT1
SCHEMBL12361738 0.85 CDK7 (0.54) CDK2CCNE1CDK7CCNHMNAT1
SCHEMBL559413 0.85 CDK7 (0.54) CDK2CCNE1CDK7CCNHMNAT1

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 CDK2 125/4885CCNE1 523/4885HPGDS 1716/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CDK2 125/4885CCNE1 523/4885HPGDS 1716/4885

“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.