SCHEMBL558209

SCHEMBL558209

OC1CCC(Nc2ncc3ccc(Oc4ccccc4)cc3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.53
ADORA2A P29274 3/20 0.53
ADORA2B P29275 1/20 0.53
GSK3A P49840 2/20 0.48
GSK3B P49841 2/20 0.48
MAPK8 P45983 4/20 0.48
MAPK10 P53779 3/20 0.48
RIPK2 O43353 1/20 0.47
ABL1 P00519 1/20 0.46
SYK P43405 1/20 0.45
MAPK9 P45984 2/20 0.45
BTK Q06187 2/20 0.43
EGLN1 Q9GZT9 1/20 0.43
JUN P05412 1/20 0.43
AXL P30530 1/20 0.43
FLT3 P36888 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
GAS6 Q14393 1/20 0.43
MAPK14 Q16539 1/20 0.42

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
SCHEMBL558208 1.00 ADORA1 (0.53) ADORA1ADORA2AADORA2BGSK3AGSK3B
SCHEMBL558852 0.84 HPGDS (0.56) ADORA1ADORA2AADORA2BMAPK8MAPK10
SCHEMBL558853 0.84 HPGDS (0.56) ADORA1ADORA2AADORA2BMAPK8MAPK10
SCHEMBL558428 0.81 TYRO3 (0.45) ADORA1ADORA2AADORA2BGSK3AGSK3B
SCHEMBL558429 0.81 TYRO3 (0.45) ADORA1ADORA2AADORA2BGSK3AGSK3B
SCHEMBL558139 0.80 MAPK8 (0.56) ADORA1ADORA2AADORA2BGSK3AGSK3B
SCHEMBL558138 0.80 MAPK8 (0.56) ADORA1ADORA2AADORA2BGSK3AGSK3B
SCHEMBL559323 0.80 MAPK8 (0.46) ADORA1ADORA2AADORA2BGSK3AGSK3B
SCHEMBL559324 0.80 MAPK8 (0.46) ADORA1ADORA2AADORA2BGSK3AGSK3B
SCHEMBL559141 0.79 MAPK8 (0.55) ADORA1ADORA2AADORA2BGSK3AGSK3B

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 ADORA1 972/4885ADORA2A 1483/4885ADORA2B 1154/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ADORA1 972/4885ADORA2A 1483/4885ADORA2B 1154/4885

“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.