SCHEMBL4931053

SCHEMBL4931053

COc1ccc(CNc2nc(CCc3cccc(-c4cccc(OC)c4)c3)ccc2C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.52
CLK4 Q9HAZ1 7/20 0.46
DYRK1A Q13627 4/20 0.46
PTGDR Q13258 2/20 0.46
ALDH1A1 P00352 7/20 0.45
MAPK1 P28482 6/20 0.45
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2D6 P10635 4/20 0.45
TSHR P16473 4/20 0.45
CYP2C19 P33261 4/20 0.45
CYP2C9 P11712 3/20 0.45
HSD17B10 Q99714 3/20 0.45
LMNA P02545 3/20 0.45
USP2 O75604 2/20 0.45
MEN1 O00255 2/20 0.44
ALOX15 P16050 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 1/20 0.44
MAPT P10636 3/20 0.43

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
SCHEMBL4939874 0.80 BACE1 (0.65) BACE1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8264473 0.79 MAPT (0.54) CLK4DYRK1APTGDRALDH1A1MAPK1
SCHEMBL18953194 0.73 NPC1 (0.54) CLK4DYRK1AALDH1A1MAPK1TSHR
SCHEMBL4937539 0.69 BACE1 (0.73) BACE1
SCHEMBL1715696 0.69 NPC1 (0.58) CLK4DYRK1AALDH1A1MAPK1CYP1A2
SCHEMBL4941238 0.69 BACE1 (1.00) BACE1
SCHEMBL1675723 0.69 DHFR (0.47) ALDH1A1TSHRHSD17B10LMNAMEN1
SCHEMBL4940864 0.68 GAA (0.50) CLK4DYRK1AALDH1A1MAPK1TSHR
SCHEMBL4940860 0.68 GAA (0.50) CLK4DYRK1AALDH1A1MAPK1TSHR
SCHEMBL5479860 0.68 CYP1A2 (0.60) CLK4DYRK1APTGDRALDH1A1MAPK1

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 6 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 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 30/4885CLK4 3057/4885DYRK1A 3110/4885

“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.