SCHEMBL5495735

SCHEMBL5495735

Nc1ccccc1-c1ccc2nc(NC3CCC(O)CC3)ncc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.56
ADORA2A P29274 3/20 0.56
ADORA2B P29275 1/20 0.56
MAPK10 P53779 3/20 0.51
JUN P05412 1/20 0.51
RIPK2 O43353 1/20 0.51
MAPK8 P45983 4/20 0.44
MAPK9 P45984 2/20 0.44
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
LCK P06239 2/20 0.44
KDR P35968 2/20 0.44
JAK3 P52333 2/20 0.44
MAPK14 Q16539 2/20 0.44
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
HSP90AA1 P07900 2/20 0.43

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
SCHEMBL14569054 1.00 ADORA1 (0.56) ADORA1ADORA2AADORA2BMAPK10JUN
SCHEMBL5492979 0.87 RIPK2 (0.64) ADORA1ADORA2AADORA2BMAPK10JUN
SCHEMBL14569053 0.87 RIPK2 (0.64) ADORA1ADORA2AADORA2BMAPK10JUN
SCHEMBL5488829 0.83 MAPK10 (0.60) ADORA1ADORA2AADORA2BMAPK10JUN
SCHEMBL5488834 0.83 MAPK10 (0.60) ADORA1ADORA2AADORA2BMAPK10JUN
SCHEMBL21416748 0.81 MAPK10 (0.54) ADORA1ADORA2AADORA2BMAPK10JUN
SCHEMBL14568532 0.81 MAPK10 (0.54) ADORA1ADORA2AADORA2BMAPK10JUN
SCHEMBL5492620 0.81 MAPK10 (0.54) ADORA1ADORA2AADORA2BMAPK10JUN
SCHEMBL14569031 0.79 LCK (0.54) ADORA1ADORA2AADORA2BMAPK10JUN
SCHEMBL5496767 0.79 LCK (0.54) ADORA1ADORA2AADORA2BMAPK10JUN

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP claimed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP claimed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP claimed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US claimed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO claimed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 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 (1 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 ADORA1 359/4885ADORA2A 267/4885ADORA2B 223/4885

“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.