SCHEMBL4940746

SCHEMBL4940746

COc1cccc(-c2cccc(CCc3nc(N)ccc3F)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.66
MAOB P27338 2/20 0.48
TAAR1 Q96RJ0 1/20 0.47
ADORA2A P29274 3/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
DHFR P00374 1/20 0.41
ADORA1 P30542 2/20 0.40
FFAR1 O14842 1/20 0.40
PPARD Q03181 1/20 0.40
AOC3 Q16853 1/20 0.40
NOS1 P29475 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL4937644 0.84 BACE1 (0.45) BACE1MAOBTAAR1DHFRNOS1
SCHEMBL4941238 0.80 BACE1 (1.00) BACE1MAOBTAAR1ADORA2ADHFR
SCHEMBL14034609 0.78 TAAR1 (0.51) TAAR1ADORA2AADORA1NOS1
Hydrochloric Acid SCHEMBL3841387 0.74 MAOB (0.79) BACE1MAOBTAAR1AOC3
SCHEMBL17779986 0.74 BACE1 (0.62) BACE1MAOBTAAR1AOC3
SCHEMBL7745905 0.73 MAOB (0.65) BACE1MAOBTAAR1AOC3
SCHEMBL4937539 0.72 BACE1 (0.73) BACE1MAOBTAAR1ADORA2ADHFR
SCHEMBL13577063 0.72 TAAR1 (0.63) BACE1MAOBTAAR1AOC3
SCHEMBL8231287 0.71 BACE1 (0.67) BACE1MAOB
SCHEMBL14382711 0.71 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 30/4885MAOB 244/4885TAAR1 450/4885

“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.