SCHEMBL210885

SCHEMBL210885

COc1ccc(-c2cc(N)[nH]n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
KCNH2 Q12809 3/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CD O00329 1/20 0.45
PIP5K1C O60331 1/20 0.45
PIK3CB P42338 1/20 0.45
PI4KA P42356 1/20 0.45
PIK3CG P48736 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
OXTR P30559 1/20 0.45
FYN P06241 1/20 0.44
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
CYP2A6 P11509 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
KLK3 P07288 1/20 0.43
CYP19A1 P11511 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 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
SCHEMBL1856249 0.79 PRMT5 (0.45) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL167088 0.77 MAPT (0.67)
SCHEMBL12692668 0.76 PIK3CD (0.50) MKNK1MKNK2PIK3CDCYP2A6
SCHEMBL21001396 0.75 PRKAG1 (0.50) MKNK1MKNK2OXTRHSD17B1HSD17B2
SCHEMBL20575703 0.74 PDE4A (0.60)
SCHEMBL17608573 0.74 MAPT (0.39) PIK3CAPIK3CDPIK3CGFYN
SCHEMBL20764911 0.73 MKNK1 (0.49) MKNK1MKNK2KCNH2FYNHSD17B1
SCHEMBL31174412 0.73 CYP2A6 (0.68) MKNK1MKNK2PIK3CAPIK3CDPIP5K1C
SCHEMBL3754419 0.73 CYP2A6 (0.68) MKNK1MKNK2PIK3CAPIK3CDPIP5K1C
SCHEMBL17608486 0.73 MAPT (0.38) PIK3CAPIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 EP disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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 (3 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 MKNK1 518/4885MKNK2 597/4885KCNH2 4286/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 MKNK1 1429/4885MKNK2 1101/4885KCNH2 909/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 MKNK1 937/4885MKNK2 954/4885KCNH2 4402/4885

“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.