SCHEMBL1857455

SCHEMBL1857455

COc1ccc(-c2nn(C(=O)OC(C)(C)C)c(N)c2F)cn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.45
PIK3CA P42336 5/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
KLK3 P07288 4/20 0.42
PIK3CD O00329 1/20 0.39
JAK2 O60674 1/20 0.39
MTOR P42345 1/20 0.39
F2 P00734 1/20 0.38
MMP13 P45452 1/20 0.38
NNMT P40261 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
ADORA2B P29275 1/20 0.38
ATR Q13535 1/20 0.38
ERN1 O75460 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
SCHEMBL1853936 0.87 MAP2K4 (0.37) GPR119PIK3CAMTORSLC22A12ATR
SCHEMBL1853581 0.80 KLK3 (0.61) GPR119PIK3CAMKNK1MKNK2KLK3
SCHEMBL1855096 0.75 SRC (0.45) PIK3CAPIK3CDMTOR
SCHEMBL30992621 0.71 HDAC2 (0.41) MMP13
SCHEMBL31510798 0.69 GPR119 (0.48) GPR119PIK3CAMKNK1MKNK2PIK3CD
SCHEMBL2496777 0.68 ADORA1 (0.40) JAK2
SCHEMBL25252704 0.67 GPR119 (0.38) GPR119
SCHEMBL21275403 0.67 MKNK1 (0.37) GPR119PIK3CAMKNK1MKNK2
SCHEMBL29640850 0.67 MKNK1 (0.37) GPR119PIK3CAMKNK1MKNK2
SCHEMBL14353988 0.67 MKNK1 (0.45) PIK3CAMKNK1MKNK2KLK3JAK2

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 3 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
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 GPR119 202/4885PIK3CA 1993/4885MKNK1 1429/4885

“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.