SCHEMBL14970135

SCHEMBL14970135

COc1ccc(-c2ccnc(C)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.62
CYP2A6 P11509 2/20 0.54
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
PIK3CA P42336 3/20 0.51
PIK3CB P42338 2/20 0.51
PIK3CD O00329 1/20 0.51
PIP5K1C O60331 1/20 0.51
PI4KA P42356 1/20 0.51
PIK3CG P48736 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
WNT3A P56704 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
CYP19A1 P11511 1/20 0.46
ERN1 O75460 2/20 0.44
FYN P06241 1/20 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
SCHEMBL30042175 0.86 CYP2A6 (0.57) DYRK1ACYP2A6HSD17B1HSD17B2PIK3CA
SCHEMBL21812340 0.83 LOXL2 (0.57) DYRK1ACYP2A6HSD17B1HSD17B2PIK3CA
SCHEMBL31317764 0.83 LOXL2 (0.57) DYRK1ACYP2A6HSD17B1HSD17B2PIK3CA
SCHEMBL12441340 0.82 DYRK1A (0.65) DYRK1ALOXL2CYP19A1
SCHEMBL13633547 0.81 DYRK1A (0.63) DYRK1ACYP2A6HSD17B1HSD17B2PIK3CA
SCHEMBL31174412 0.81 CYP2A6 (0.68) CYP2A6HSD17B1HSD17B2PIK3CAPIK3CB
SCHEMBL3754419 0.81 CYP2A6 (0.68) CYP2A6HSD17B1HSD17B2PIK3CAPIK3CB
SCHEMBL2614940 0.80 CYP2A6 (0.58) CYP2A6HSD17B1HSD17B2PIK3CAPIK3CB
SCHEMBL3422269 0.80 DYRK1A (0.56) DYRK1APIK3CAPIK3CBPIK3CDPI4KA
SCHEMBL94462 0.79 DYRK1A (0.49) DYRK1ACYP2A6HSD17B1HSD17B2PIK3CA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 US disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US 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 (4 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-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 DYRK1A 2904/4885CYP2A6 2357/4885HSD17B1 1846/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 DYRK1A 2904/4885CYP2A6 2357/4885HSD17B1 1846/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 DYRK1A 2904/4885CYP2A6 2357/4885HSD17B1 1846/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 DYRK1A 2904/4885CYP2A6 2357/4885HSD17B1 1846/4885

“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.