SCHEMBL559526

SCHEMBL559526

CS(=O)(=O)N1C=C(c2cccc3cnc(N[C@H]4CC[C@H](O)CC4)nc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 5/20 0.57
JUN P05412 2/20 0.57
CDK2 P24941 14/20 0.47
CCNE1 P24864 13/20 0.47
CCND1 P24385 10/20 0.47
CDK6 Q00534 9/20 0.47
MAPK8 P45983 4/20 0.44
MAPK9 P45984 3/20 0.44
CDK4 P11802 2/20 0.42
CDK1 P06493 1/20 0.42
CCND3 P30281 1/20 0.41

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
SCHEMBL559527 1.00 MAPK10 (0.57) MAPK10JUNCDK2CCNE1CCND1
SCHEMBL559502 0.85 MAPK10 (0.57) MAPK10JUNCDK2CCNE1CCND1
SCHEMBL559503 0.85 MAPK10 (0.57) MAPK10JUNCDK2CCNE1CCND1
SCHEMBL14391603 0.83 MAPK10 (0.57) MAPK10JUNCDK2CCNE1CCND1
SCHEMBL558932 0.75 MAPK10 (0.72) MAPK10JUNMAPK8MAPK9
SCHEMBL558933 0.75 MAPK10 (0.72) MAPK10JUNMAPK8MAPK9
SCHEMBL560047 0.74 MAPK10 (0.75) MAPK10JUNMAPK8MAPK9
SCHEMBL560048 0.74 MAPK10 (0.75) MAPK10JUNMAPK8MAPK9
SCHEMBL558335 0.74 CDK2 (0.53) MAPK10JUNCDK2CCNE1CCND1
SCHEMBL558334 0.74 CDK2 (0.53) MAPK10JUNCDK2CCNE1CCND1

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 11 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
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 MAPK10 32/4885JUN 36/4885CDK2 125/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK10 32/4885JUN 36/4885CDK2 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.