SCHEMBL559447

SCHEMBL559447

OC1CCC(Nc2ncc3ccc(OC4CCC(F)(F)CC4)cc3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.44
MAPK10 P53779 3/20 0.44
MAPK9 P45984 2/20 0.42
RIPK2 O43353 1/20 0.42
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
ROCK2 O75116 1/20 0.38
ABL1 P00519 2/20 0.38
LCK P06239 1/20 0.37
ITK Q08881 1/20 0.37
AURKB Q96GD4 1/20 0.37
MAPK14 Q16539 1/20 0.37
JUN P05412 1/20 0.37
HPGDS O60760 1/20 0.37
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK1 P28482 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
SCHEMBL559446 1.00 MAPK8 (0.44) MAPK8MAPK10MAPK9RIPK2ADORA1
SCHEMBL559562 0.85 IRAK4 (0.46) MAPK8MAPK10MAPK9RIPK2ADORA1
SCHEMBL559561 0.85 IRAK4 (0.46) MAPK8MAPK10MAPK9RIPK2ADORA1
SCHEMBL559278 0.83 MAPK8 (0.46) MAPK8MAPK10MAPK9RIPK2ADORA1
SCHEMBL559277 0.83 MAPK8 (0.46) MAPK8MAPK10MAPK9RIPK2ADORA1
SCHEMBL559492 0.81 IRAK4 (0.53) MAPK8MAPK10MAPK9RIPK2ADORA1
SCHEMBL559491 0.81 IRAK4 (0.53) MAPK8MAPK10MAPK9RIPK2ADORA1
SCHEMBL559760 0.81 IRAK4 (0.53) MAPK8MAPK10MAPK9RIPK2ADORA1
SCHEMBL559233 0.81 IRAK4 (0.53) MAPK8MAPK10MAPK9RIPK2ADORA1
SCHEMBL559759 0.81 IRAK4 (0.53) MAPK8MAPK10MAPK9RIPK2ADORA1

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 3 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

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 MAPK8 20/4885MAPK10 32/4885MAPK9 62/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK8 20/4885MAPK10 32/4885MAPK9 62/4885

“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.