SCHEMBL3789904

SCHEMBL3789904

CC(=O)c1c(N)cccc1-c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
PRKCZ Q05513 1/20 0.37
MAPT P10636 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 3/20 0.36
KIT P10721 2/20 0.36
KDR P35968 2/20 0.36
FLT3 P36888 2/20 0.36
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CYP3A4 P08684 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 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
SCHEMBL3787580 0.87 HSD17B10 (0.52) THRBPRKCZMAPTALDH1A1HSD17B10
SCHEMBL2929950 0.84 MAPT (0.38) THRBPRKCZMAPTNPC1RAB9A
SCHEMBL3787208 0.84 MKNK1 (0.44) PRKCZALDH1A1HSD17B10BRD4KIT
SCHEMBL3786909 0.83 MAP4K4 (0.44) THRBMAPTALDH1A1BRD4KDM4E
SCHEMBL3790555 0.81 ALDH1A1 (0.54) THRBMAPTALDH1A1HSD17B10BRD4
SCHEMBL9841111 0.78 THRB (0.54) THRBMAPTALDH1A1HSD17B10BRD4
Hydrochloric Acid SCHEMBL7967074 0.76 THRB (0.52) THRBMAPTALDH1A1HSD17B10BRD4
SCHEMBL3789209 0.75 KDR (0.39) MAPTNPC1RAB9ABRD4KIT
SCHEMBL3785789 0.75 BACE1 (0.44) PRKCZALDH1A1HSD17B10KDM4EKIT
SCHEMBL3803198 0.74 BCAT2 (0.50) MAPTALDH1A1HSD17B10BRD4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 THRB 2265/4885PRKCZ 4739/4885MAPT 3312/4885

“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.