SCHEMBL1853581

SCHEMBL1853581

COc1ccc(-c2cc(N)n(C(=O)OC(C)(C)C)n2)cn1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK3 P07288 8/20 0.61
F2 P00734 1/20 0.55
PIK3CA P42336 7/20 0.48
GPR119 Q8TDV5 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
PIK3CD O00329 1/20 0.42
MTOR P42345 1/20 0.41
KCNH2 Q12809 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL1852996 0.85 KLK3 (0.44) KLK3F2PIK3CA
SCHEMBL1862123 0.84 HTT (0.53) KLK3
SCHEMBL1855101 0.84 KLK3 (0.67) KLK3F2PIK3CAMKNK1MKNK2
SCHEMBL1852959 0.80 TSHR (0.50) KLK3
SCHEMBL1857455 0.80 GPR119 (0.45) KLK3F2PIK3CAGPR119MKNK1
SCHEMBL23910450 0.79 KLK3 (0.41) KLK3GPR119
SCHEMBL1855123 0.79 KLK3 (0.44) KLK3PIK3CAMKNK1MKNK2KCNH2
SCHEMBL1857851 0.78 PIK3CA (0.42) KLK3F2PIK3CAMKNK2PIK3CD
SCHEMBL25409385 0.76 KLK3 (0.57) KLK3F2PIK3CAMKNK1MKNK2
SCHEMBL1855868 0.75 POLB (0.43) KLK3F2PIK3CAPIK3CDMTOR

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 KLK3 3112/4885F2 4753/4885PIK3CA 1993/4885

“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.