SCHEMBL559263

SCHEMBL559263

C[C@@H]([C@H](Oc1ccc2cnc(NC3CCC(O)CC3)nc2c1)c1ccccc1)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.43
ADORA2A P29274 3/20 0.43
ADORA2B P29275 1/20 0.43
MAPK8 P45983 5/20 0.42
MAPK9 P45984 3/20 0.42
MAPK10 P53779 3/20 0.42
RIPK2 O43353 1/20 0.42
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
MAPK1 P28482 3/20 0.39
LCK P06239 1/20 0.39
ITK Q08881 1/20 0.39
AURKB Q96GD4 1/20 0.39
JUN P05412 1/20 0.38
CCNK O75909 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
HPGDS O60760 1/20 0.38
MAPK3 P27361 1/20 0.38

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
SCHEMBL559262 1.00 ADORA1 (0.43) ADORA1ADORA2AADORA2BMAPK8MAPK9
SCHEMBL558209 0.78 ADORA1 (0.53) ADORA1ADORA2AADORA2BMAPK8MAPK9
SCHEMBL558208 0.78 ADORA1 (0.53) ADORA1ADORA2AADORA2BMAPK8MAPK9
SCHEMBL558852 0.77 HPGDS (0.56) ADORA1ADORA2AADORA2BMAPK8MAPK9
SCHEMBL558853 0.77 HPGDS (0.56) ADORA1ADORA2AADORA2BMAPK8MAPK9
SCHEMBL10166348 0.76 MAPK8 (0.45) ADORA1ADORA2AADORA2BMAPK8MAPK9
SCHEMBL559285 0.76 MAPK8 (0.45) ADORA1ADORA2AADORA2BMAPK8MAPK9
SCHEMBL559284 0.76 MAPK8 (0.45) ADORA1ADORA2AADORA2BMAPK8MAPK9
SCHEMBL559365 0.75 MAPK1 (0.42) ADORA1ADORA2AADORA2BMAPK8MAPK9
SCHEMBL559366 0.75 MAPK1 (0.42) ADORA1ADORA2AADORA2BMAPK8MAPK9

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.