SCHEMBL4937539

SCHEMBL4937539

COc1cccc(-c2cccc(CCc3ccc(C)c(N)n3)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.73
DHFR P00374 1/20 0.57
MAOB P27338 2/20 0.47
TAAR1 Q96RJ0 1/20 0.46
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
DPP4 P27487 1/20 0.43
MAP4K4 O95819 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
AOC3 Q16853 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
SCHEMBL4935355 0.85 BACE1 (0.55) BACE1DHFRMAOBNOS1NOS2
SCHEMBL4939874 0.84 BACE1 (0.65) BACE1DHFRMAOBADORA2AADORA1
SCHEMBL4941238 0.84 BACE1 (1.00) BACE1DHFRMAOBTAAR1ADORA2A
SCHEMBL14034461 0.78 NOS1 (0.54) BACE1DHFRTAAR1NOS1NOS2
SCHEMBL17779986 0.76 BACE1 (0.62) BACE1MAOBTAAR1NR1H2NR1H3
SCHEMBL4136983 0.75 BACE1 (1.00) BACE1
SCHEMBL29942020 0.75 BACE1 (0.66) BACE1MAOB
SCHEMBL4935392 0.74 BACE1 (0.80) BACE1DHFRNOS1NOS2
Hydrochloric Acid SCHEMBL3841387 0.73 MAOB (0.79) BACE1MAOBTAAR1AOC3
SCHEMBL14382711 0.73 BACE1 (0.58) BACE1MAOBTAAR1AOC3

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 7 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
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
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 30/4885DHFR 905/4885MAOB 244/4885

“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.