SCHEMBL3854484

SCHEMBL3854484

Cc1c(C)n(Cc2ccccc2)c2ccc(-c3ccc(OCc4nnn[nH]4)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AKT1 P31749 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
ROCK1 Q13464 1/20 0.43
CDC42BPA Q5VT25 1/20 0.43
AKT3 Q9Y243 1/20 0.43
PLA2G2A P14555 3/20 0.42
ALOX5AP P20292 1/20 0.41
PPARG P37231 6/20 0.40
DYRK1A Q13627 1/20 0.40
PTGES2 Q9H7Z7 2/20 0.39
PTGES O14684 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3857091 0.91 ESR1 (0.48)
SCHEMBL3850876 0.90 PLA2G2A (0.51) PLA2G2A
SCHEMBL3856500 0.84 ESR1 (0.44) DYRK1AGAANPSR1MAPT
SCHEMBL3851703 0.83 PLA2G2A (0.39) PLA2G2AALOX5APDYRK1AGAANPSR1
SCHEMBL3853290 0.82 ESR1 (0.40) PLA2G2AALOX5APDYRK1A
SCHEMBL3853687 0.81 HTR6 (0.45)
SCHEMBL3851996 0.80 GRIK2 (0.39) GSK3BALOX5APPPARGPTGESMEN1
SCHEMBL3853002 0.80 NPC1 (0.43) GSK3BPLA2G2APPARGPTGESMEN1
SCHEMBL3853126 0.79 MAPT (0.48) PLA2G2APPARGKMT2ATDP1NPSR1
SCHEMBL3854740 0.78 TSHR (0.57) PLA2G2APPARGKMT2ANPSR1MAPT

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-7582773-B2 Substituted phenyl indoles WYETH (US) 2009-09-01 US claimed
US-20050070592-A1 Substituted phenyl indoles WYETH (US) 2005-03-31 US claimed
US-7582773-B2 Substituted phenyl indoles WYETH (US) 2009-09-01 US disclosed
US-20050070592-A1 Substituted phenyl indoles WYETH (US) 2005-03-31 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-20050070592-A1 Substituted phenyl indoles TPH2, IDO2, AANAT PLK4 1279/4885AURKA 932/4885ROCK2 1267/4885

“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.