SCHEMBL4937259

SCHEMBL4937259

COc1cc2cccc(OC)c2cc1CCc1cccc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.50
NOS1 P29475 8/20 0.44
MCHR1 Q99705 1/20 0.42
NR3C2 P08235 1/20 0.42
NOS2 P35228 3/20 0.41
NOS3 P29474 3/20 0.40
DHFR P00374 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE10A Q9Y233 2/20 0.39
CYP19A1 P11511 1/20 0.38

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
SCHEMBL8264005 0.89 BACE1 (0.47) BACE1NOS1MCHR1NR3C2NOS2
SCHEMBL23980701 0.73 KDM4E (0.49) NOS1MCHR1KDM4EALDH1A1HPGD
SCHEMBL4937660 0.70 BACE1 (0.73) BACE1NOS1NOS2NOS3DHFR
Ammonia Solution, Strong SCHEMBL4940874 0.69 PDGFRB (0.44) BACE1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29919905 0.69 NQO1 (0.67) MCHR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8393507 0.69 NQO1 (0.67) MCHR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29862025 0.67 ALDH1A1 (0.59) MCHR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8391116 0.67 ALDH1A1 (0.59) MCHR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5749415 0.67 NQO1 (0.53) MCHR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4941238 0.67 BACE1 (1.00) BACE1NOS1NOS2DHFR

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 12 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
EP-1940803-A1 1,2-DIARYLIMIDAZOLES FOR USE AS CBI MODULATORS AstraZeneca AB (SE) 2008-07-09 EP 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-2007031720-A1 1,2-DIARYLIMIDAZOLES FOR USE AS CBI MODULATORS ASTRAZENECA AB (SE) 2007-03-22 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 30/4885NOS1 269/4885MCHR1 3201/4885

“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.