SCHEMBL2320530

SCHEMBL2320530

Cc1nc2cccc(C(F)(F)F)c2nc1-c1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.53
PIK3CG P48736 6/20 0.43
PIK3CA P42336 2/20 0.43
MTOR P42345 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3C2B O00750 1/20 0.43
PDXK O00764 1/20 0.43
GAK O14976 1/20 0.43
MAP3K7 O43318 1/20 0.43
RIPK2 O43353 1/20 0.43
PIP5K1C O60331 1/20 0.43
STK16 O75716 1/20 0.43
PIK3C2G O75747 1/20 0.43
PRKD3 O94806 1/20 0.43
OXSR1 O95747 1/20 0.43
LATS1 O95835 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL2318698 0.95 NR1H2 (0.59) NR1H2PIK3CGPIK3CAMTORPIK3CD
SCHEMBL2319654 0.86 NR1H2 (0.55) NR1H2PIK3CGNR1H3NPC1ALDH1A1
SCHEMBL2320923 0.81 NR1H2 (0.51) NR1H2PIK3CGPIK3CAMTORPIK3CD
SCHEMBL2317818 0.81 NR1H2 (0.61) NR1H2NR1H3ALDH1A1
SCHEMBL2320335 0.81 NR1H2 (0.42) NR1H2HSD17B2HSD17B1PDE2APDE10A
SCHEMBL2319565 0.76 NR1H2 (0.57) NR1H2PIK3CGARNR1H3NPC1
SCHEMBL4173955 0.76 NR1H2 (0.43) NR1H2ARNR1H3ALDH1A1RAB9A
SCHEMBL2317303 0.76 HSD17B1 (0.51) PIK3CGPIK3CAPIK3CBHSD17B2AR
SCHEMBL2317220 0.76 NR1H2 (0.53) NR1H2NR1H3NPC1ALDH1A1RAB9A
SCHEMBL3507496 0.76 ESR1 (0.42) PIK3CGPIK3CAMTORPIK3CDPIK3C2B

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 NR1H2 1/4885PIK3CG 4297/4885PIK3CA 3697/4885

“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.