SCHEMBL1863209

SCHEMBL1863209

COc1cncc(C(=O)CC#N)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
CYP3A4 P08684 1/20 0.38
CSNK1E P49674 1/20 0.37
MAP4K4 O95819 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
SCHEMBL30734351 0.81 MKNK1 (0.46) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL8240390 0.81 MKNK1 (0.46) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL1915774 0.81 KDM4E (0.46) CYP1A2CYP2C19CES2CES1
SCHEMBL1857947 0.80 HCAR2 (0.55) CYP11B1CYP11B2CYP1A2CYP2C19CYP3A4
SCHEMBL7238664 0.80 MKNK1 (0.49) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL17518860 0.80 GSK3B (0.56) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL20963095 0.79 CYP11B1 (0.40) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL10475039 0.79 MKNK1 (0.44) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
SCHEMBL17819556 0.79 MKNK1 (0.44) MKNK1MKNK2CYP11B1CYP11B2CYP1A2
Bromide SCHEMBL17503995 0.79 GSK3B (0.54) MKNK1MKNK2CYP11B1CYP11B2CYP1A2

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 MKNK1 1429/4885MKNK2 1101/4885CYP11B1 2089/4885

“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.