SCHEMBL559466

SCHEMBL559466

CC(C)Nc1ncc2ccc(C(=O)NC3(CO)CCCC3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.46
MAPK1 P28482 9/20 0.44
GCG P01275 1/20 0.42
CSNK2A1 P68400 2/20 0.41
CNR2 P34972 3/20 0.38
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
DGAT2 Q96PD7 1/20 0.36

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
SCHEMBL559772 0.83 CDK2 (0.47) ABL1MAPK1CSNK2A1CNR2CCNE1
SCHEMBL559085 0.83 CDK2 (0.47) ABL1MAPK1CSNK2A1CNR2CCNE1
SCHEMBL559994 0.82 CDK2 (0.46) ABL1MAPK1CCNE1CDK2
SCHEMBL2259190 0.81 CCNE1 (0.45) ABL1MAPK1CSNK2A1CCNE1CDK2
SCHEMBL559987 0.81 CCNE1 (0.45) ABL1MAPK1CSNK2A1CCNE1CDK2
SCHEMBL559218 0.80 GCG (0.52) MAPK1GCGCSNK2A1CDK4CCND1
SCHEMBL558944 0.79 MAPK1 (0.53) MAPK1GCGCCNE1CDK2
SCHEMBL560024 0.77 NPC1 (0.46) ABL1MAPK1GCGCSNK2A1CNR2
SCHEMBL558360 0.77 MAPK1 (0.47) MAPK1GCGCSNK2A1CCNE1CDK2
SCHEMBL14677474 0.76 CSNK2A1 (0.55) MAPK1GCGCSNK2A1CCNE1CDK2

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 ABL1 438/4885MAPK1 1/4885GCG 598/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ABL1 438/4885MAPK1 1/4885GCG 598/4885

“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.