SCHEMBL1854897

SCHEMBL1854897

COc1ccc(-c2n[nH]c(N)c2F)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.44
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
TDO2 P48775 1/20 0.42
CYP2A6 P11509 2/20 0.41
PIK3CA P42336 4/20 0.40
MTOR P42345 2/20 0.40
PIK3CD O00329 1/20 0.40
PIP5K1C O60331 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
PDE2A O00408 1/20 0.39
FYN P06241 2/20 0.39
ERN1 O75460 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
RPS6KA3 P51812 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38

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
Hydrochloric Acid SCHEMBL1858316 0.99 ADORA2B (0.43) ADORA2BMKNK1MKNK2TDO2CYP2A6
SCHEMBL1856970 0.80 HPGDS (0.42) TDO2PIK3CAMTORPIK3CDPIK3CB
SCHEMBL29875184 0.79 ATR (0.45) ADORA2BMKNK1MKNK2PDE2AFYN
SCHEMBL19926325 0.79 ATR (0.45) ADORA2BMKNK1MKNK2PDE2AFYN
SCHEMBL12403862 0.73 AXL (0.53) ADORA2BTDO2PIK3CALOXL2
SCHEMBL21775849 0.73 MEN1 (0.47) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL6632491 0.71 MKNK1 (0.40) MKNK1MKNK2CYP2A6PIK3CAPIK3CD
SCHEMBL13516697 0.71 MAPT (0.64) MKNK1MKNK2TDO2CYP2A6FYN
SCHEMBL31174412 0.71 CYP2A6 (0.68) MKNK1MKNK2TDO2CYP2A6PIK3CA
SCHEMBL3754419 0.71 CYP2A6 (0.68) MKNK1MKNK2TDO2CYP2A6PIK3CA

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 ADORA2B 245/4885MKNK1 1429/4885MKNK2 1101/4885

“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.