SCHEMBL559561

SCHEMBL559561

O[C@H]1CC[C@H](Nc2ncc3ccc(OC4CCOCC4)cc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.46
MAPK8 P45983 7/20 0.46
MAPK10 P53779 6/20 0.46
MAPK1 P28482 9/20 0.44
RIPK2 O43353 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
MAPK9 P45984 5/20 0.42
MAPK14 Q16539 3/20 0.42
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
GAK O14976 1/20 0.40
ERN1 O75460 1/20 0.40
EGFR P00533 1/20 0.40
MAPK3 P27361 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
LIMK1 P53667 1/20 0.40

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
SCHEMBL559562 1.00 IRAK4 (0.46) IRAK4MAPK8MAPK10MAPK1RIPK2
SCHEMBL559491 0.94 IRAK4 (0.53) IRAK4MAPK8MAPK10MAPK1RIPK2
SCHEMBL559492 0.94 IRAK4 (0.53) IRAK4MAPK8MAPK10MAPK1RIPK2
SCHEMBL559760 0.94 IRAK4 (0.53) IRAK4MAPK8MAPK10MAPK1RIPK2
SCHEMBL559233 0.94 IRAK4 (0.53) IRAK4MAPK8MAPK10MAPK1RIPK2
SCHEMBL559232 0.94 IRAK4 (0.53) IRAK4MAPK8MAPK10MAPK1RIPK2
SCHEMBL559759 0.94 IRAK4 (0.53) IRAK4MAPK8MAPK10MAPK1RIPK2
SCHEMBL559063 0.87 MAPK1 (0.46) IRAK4MAPK8MAPK10MAPK1MAPK9
SCHEMBL558703 0.85 MAPK8 (0.44) IRAK4MAPK8MAPK10MAPK1RIPK2
SCHEMBL559278 0.85 MAPK8 (0.46) MAPK8MAPK10RIPK2ADORA2AADORA2B

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 IRAK4 545/4885MAPK8 20/4885MAPK10 32/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 IRAK4 545/4885MAPK8 20/4885MAPK10 32/4885

“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.