SCHEMBL2846484

SCHEMBL2846484

Cc1ccc(-c2cc(NC(=O)C(C)CCCN3CCCOCC3)n(C(=O)OC(C)(C)C)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.39
TNF P01375 1/20 0.39
WNT1 P04628 3/20 0.38
GSK3B P49841 3/20 0.38
DYRK1A Q13627 3/20 0.38
JAK2 O60674 2/20 0.37
JAK3 P52333 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ATM Q13315 1/20 0.36
PTGES O14684 1/20 0.36
CD274 Q9NZQ7 1/20 0.35
CHRNA3 P32297 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL13322395 0.88 JAK2 (0.35) WNT1GSK3BDYRK1AJAK2JAK3
SCHEMBL13322399 0.79 TBK1 (0.41) JAK2ATMCD274
SCHEMBL13322396 0.79 CHRNA3 (0.40) WNT1GSK3BDYRK1AHRH3ATM
SCHEMBL13322400 0.78 TBK1 (0.40) WNT1DYRK1AJAK2ATMCD274
SCHEMBL1851688 0.77 KCNH2 (0.51) CHRNA3TLR9TLR7
SCHEMBL13322402 0.75 HDAC1 (0.40) JAK3
SCHEMBL13322417 0.75 POLB (0.40) GSK3B
SCHEMBL13322419 0.75 HRH3 (0.35) WNT1GSK3BDYRK1AHRH3
SCHEMBL13322423 0.74 POLB (0.40) GSK3B
SCHEMBL13354496 0.72 PTGS2 (0.36) WNT1GSK3BDYRK1APTGES

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPK14 2551/4885TNF 985/4885WNT1 3945/4885

“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.