SCHEMBL558335

SCHEMBL558335

CS(=O)(=O)N1CCC(c2cccc3cnc(NC4CCC(O)CC4)nc23)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.53
CCNE1 P24864 17/20 0.53
CCND1 P24385 16/20 0.53
CDK6 Q00534 14/20 0.53
JUN P05412 1/20 0.52
MAPK10 P53779 1/20 0.52
CDK4 P11802 5/20 0.48
CDK1 P06493 2/20 0.48
CCND3 P30281 1/20 0.47
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45

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
SCHEMBL558334 1.00 CDK2 (0.53) CDK2CCNE1CCND1CDK6JUN
SCHEMBL10166128 0.84 MAPK10 (0.52) CDK2CCNE1CCND1CDK6JUN
SCHEMBL30804793 0.83 CDK2 (0.58) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061752 0.83 CDK2 (0.58) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL559554 0.82 MAPK10 (0.50) CDK2CCNE1CCND1CDK6JUN
SCHEMBL559555 0.82 MAPK10 (0.50) CDK2CCNE1CCND1CDK6JUN
SCHEMBL14391744 0.82 MAPK10 (0.52) CDK2CCNE1CCND1CDK6JUN
SCHEMBL27061977 0.81 CDK2 (0.56) CDK2CCNE1CCND1CDK6JUN
SCHEMBL30726225 0.78 CDK2 (0.51) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27033439 0.78 CDK2 (0.51) CDK2CCNE1CCND1CDK6CDK4

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 5 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
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO 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 523/4885CCND1 762/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CDK2 125/4885CCNE1 523/4885CCND1 762/4885

“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.