SCHEMBL4939874

SCHEMBL4939874

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.65
DHFR P00374 1/20 0.52
PGR P06401 1/20 0.46
AR P10275 1/20 0.46
ADORA1 P30542 2/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
RXFP1 Q9HBX9 4/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
GLA P06280 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAOB P27338 2/20 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
SCHEMBL4937539 0.84 BACE1 (0.73) BACE1DHFRADORA1ADORA2AMAOB
SCHEMBL4931053 0.80 BACE1 (0.52) BACE1PGRARHPGDTP53
SCHEMBL4941238 0.79 BACE1 (1.00) BACE1DHFRADORA1ADORA2AMAOB
SCHEMBL17779986 0.71 BACE1 (0.62) BACE1MAOB
SCHEMBL4136983 0.70 BACE1 (1.00) BACE1
SCHEMBL29942020 0.70 BACE1 (0.66) BACE1MAPTGAAMAOB
SCHEMBL4935355 0.70 BACE1 (0.55) BACE1DHFRMAOB
SCHEMBL11118935 0.70 ABCB1 (0.58)
SCHEMBL4935392 0.70 BACE1 (0.80) BACE1DHFR
SCHEMBL108848 0.69 PGR (0.59) PGRARADORA1HPGDTP53

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
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
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 30/4885DHFR 905/4885PGR 4604/4885

“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.