SCHEMBL559504

SCHEMBL559504

CNC(=O)c1cc(C)c2cnc(NC3CCC4(CC3)OCCO4)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.39
MAPK3 P27361 2/20 0.39
MAP4K1 Q92918 3/20 0.38
PIP5K1C O60331 1/20 0.37
RPS6KA1 Q15418 2/20 0.35
CCNE1 P24864 5/20 0.35
CDK2 P24941 5/20 0.35
HCAR3 P49019 1/20 0.34
BRD4 O60885 1/20 0.33
PARP14 Q460N5 1/20 0.33
FGFR3 P22607 1/20 0.33
ABL1 P00519 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL558983 0.90 HCAR3 (0.43) MAPK1RPS6KA1CCNE1CDK2HCAR3
SCHEMBL559821 0.84 MAPK1 (0.45) MAPK1RPS6KA1
SCHEMBL559789 0.84 BRD4 (0.41) MAPK1MAPK3MAP4K1PIP5K1CHCAR3
SCHEMBL559788 0.84 BRD4 (0.41) MAPK1MAPK3MAP4K1PIP5K1CHCAR3
SCHEMBL558698 0.81 AOC3 (0.35) MAPK1MAP4K1CCNE1CDK2PARP14
SCHEMBL559742 0.74 GSK3B (0.35) MAPK1PARP14
SCHEMBL559257 0.70 BRD4 (0.36) MAPK1RPS6KA1BRD4ABL1
SCHEMBL559117 0.69 CDK2 (0.39) MAPK1MAPK3CCNE1CDK2
SCHEMBL559067 0.69 MAPK8 (0.48) CDK2BRD4
SCHEMBL558632 0.69 MAPK8 (0.48) CDK2BRD4

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-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
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 MAPK1 1/4885MAPK3 8/4885MAP4K1 29/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK1 1/4885MAPK3 8/4885MAP4K1 29/4885

“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.