SCHEMBL1857851

SCHEMBL1857851

CC(C)(C)OC(=O)n1nc(-c2cnc3ccccc3c2)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.42
MAPKAPK2 P49137 1/20 0.42
MAP4K4 O95819 1/20 0.41
CSNK1G2 P78368 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
ABL1 P00519 2/20 0.39
SLC22A12 Q96S37 1/20 0.39
KLK3 P07288 6/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MTOR P42345 3/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL1855868 0.86 POLB (0.43) PIK3CAABL1KLK3MTORF2
SCHEMBL1852996 0.80 KLK3 (0.44) PIK3CASLC22A12KLK3MEN1KMT2A
SCHEMBL1853581 0.78 KLK3 (0.61) PIK3CAMKNK2KLK3MTORF2
SCHEMBL23910450 0.76 KLK3 (0.41) KLK3ALDH1A1EGFRKDR
SCHEMBL1852959 0.75 TSHR (0.50) KLK3MEN1KMT2AKDM4EALDH1A1
SCHEMBL1862123 0.74 HTT (0.53) KLK3MEN1KMT2AKDM4EALDH1A1
SCHEMBL30718218 0.74 MAPKAPK2 (0.41) PIK3CAMAPKAPK2MAP4K4CSNK1G2CLK4
SCHEMBL29115840 0.74 MAPKAPK2 (0.41) PIK3CAMAPKAPK2MAP4K4CSNK1G2CLK4
SCHEMBL30718176 0.74 MAPKAPK2 (0.41) PIK3CAMAPKAPK2MAP4K4CSNK1G2CLK4
SCHEMBL1855123 0.74 KLK3 (0.44) PIK3CAMKNK2SLC22A12KLK3KDM4E

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
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
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US 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
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 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-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 PIK3CA 1993/4885MAPKAPK2 1305/4885MAP4K4 2181/4885

“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.