SCHEMBL4937813

SCHEMBL4937813

Nc1cccc(CCc2cc(-c3ccc4cc[nH]c4c3)ccc2O)n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.62
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
LCK P06239 1/20 0.38
BTK Q06187 1/20 0.38
TYR P14679 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
NOS3 P29474 1/20 0.35
PDPK1 O15530 1/20 0.34
RIPK2 O43353 1/20 0.34
PIK3CA P42336 1/20 0.34
BRD4 O60885 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL4937000 0.82 BACE1 (0.79) BACE1ADORA2AADORA1LCKBTK
SCHEMBL4939573 0.78 BACE1 (0.65) BACE1NOS1NOS2NOS3PIK3CA
SCHEMBL4938783 0.77 BACE1 (1.00) BACE1NOS1NOS2NOS3
SCHEMBL31060120 0.77 BACE1 (1.00) BACE1NOS1NOS2NOS3
SCHEMBL8089097 0.67 ALOX5 (0.48) NOS1NOS3PDPK1
SCHEMBL981855 0.66 ADORA2A (0.52) BACE1ADORA2AADORA1LCKBTK
SCHEMBL14321745 0.66 BACE1 (0.58) BACE1ADORA2AADORA1BRD4
SCHEMBL1225643 0.64 TYR (0.70) BACE1TYRBRD4
SCHEMBL7088159 0.63 NPC1 (0.67) BACE1ADORA2AADORA1TYRBRD4
Hydrochloric Acid SCHEMBL27297304 0.63 TYR (0.68) BACE1TYRBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US claimed
CN-101124205-A Substituted aminopyridines and uses thereof ASTRAZENECA AB (SE) 2008-02-13 CN claimed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 WO claimed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
CN-101124205-A Substituted aminopyridines and uses thereof ASTRAZENECA AB (SE) 2008-02-13 CN disclosed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 WO 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-20080287399-A1 Substituted Aminopyridines and Uses Thereof PSEN2, SLC1A2, PSEN1 BACE1 30/4885ADORA2A 316/4885ADORA1 120/4885

“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.