SCHEMBL1855868

SCHEMBL1855868

CC(C)(C)OC(=O)n1nc(-c2ccc3ncccc3c2)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DYRK1A Q13627 1/20 0.42
SRC P12931 3/20 0.42
MCL1 Q07820 1/20 0.40
ADORA2A P29274 4/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
AR P10275 1/20 0.40
PIK3CD O00329 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
HCK P08631 1/20 0.40
KDR P35968 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
EPHB4 P54760 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
SCHEMBL1857851 0.86 PIK3CA (0.42) SRCPIK3CDABL1EGFRHCK
SCHEMBL1855096 0.81 SRC (0.45) POLBNPC1RAB9ADYRK1ASRC
SCHEMBL1852996 0.79 KLK3 (0.44) POLBNPC1RAB9AHTTKDR
SCHEMBL23910450 0.78 KLK3 (0.41) HTTEGFRKDRHPGDKLK3
SCHEMBL1852959 0.77 TSHR (0.50) POLBNPC1RAB9AHTTHPGD
SCHEMBL1862123 0.76 HTT (0.53) NPC1RAB9ASRCHTTHPGD
SCHEMBL1853581 0.75 KLK3 (0.61) PIK3CDPIK3CAMTORF2KLK3
SCHEMBL13322417 0.74 POLB (0.40) POLBADORA2AGSK3BHPGDMET
SCHEMBL13322423 0.73 POLB (0.40) POLBADORA2AGSK3BHPGDMET
SCHEMBL13322404 0.73 POLB (0.40) POLBGSK3BHPGDMET

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 POLB 3664/4885NPC1 983/4885RAB9A 1275/4885

“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.