SCHEMBL2321967

SCHEMBL2321967

Oc1cccc(-c2cnc3cccc(Cl)c3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.56
HSD17B2 P37059 5/20 0.56
PIK3CG P48736 2/20 0.52
PIK3CA P42336 2/20 0.52
PIK3CB P42338 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAP4K4 O95819 1/20 0.50
ATR Q13535 2/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA1 P30542 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL27802841 0.84 BCHE (0.61) MAP4K4ATRADORA3ADORA1RAB9A
SCHEMBL3024116 0.80 BCHE (0.67) HSD17B1HSD17B2ATRRAB9ANPC1
SCHEMBL2319574 0.79 HSD17B1 (0.51) HSD17B1HSD17B2PIK3CGPIK3CAPIK3CB
SCHEMBL18743229 0.76 HSD17B1 (0.51) HSD17B1HSD17B2PIK3CGPIK3CAPIK3CB
SCHEMBL13019085 0.74 PIK3CG (0.64) HSD17B1HSD17B2PIK3CGPIK3CAPIK3CB
SCHEMBL9079070 0.74 ADORA3 (0.45) ADORA3ADORA1RAB9ANPC1ACHE
SCHEMBL27781334 0.73 BCHE (0.56) MAP4K4ATRADORA3ADORA1RAB9A
SCHEMBL27781251 0.73 ADORA3 (0.52) ATRADORA3ADORA1RAB9ANPC1
SCHEMBL1180306 0.73 HSD17B1 (1.00) HSD17B1HSD17B2PIK3CGPIK3CAPIK3CB
SCHEMBL2320923 0.72 NR1H2 (0.51) HSD17B1HSD17B2PIK3CGPIK3CAPIK3CB

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-2352725-A1 QUINOXALINE-BASED LXR MODULATORS Wyeth LLC (US) 2011-08-10 EP disclosed
WO-2010054229-A1 QUINOXALINE-BASED LXR MODULATORS WYETH LLC (US) 2010-05-14 WO disclosed
US-20100120778-A1 QUINOXALINE-BASED LXR MODULATORS WYETH (US) 2010-05-13 US 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-20100120778-A1 QUINOXALINE-BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 HSD17B1 278/4885HSD17B2 392/4885PIK3CG 4297/4885

“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.