SCHEMBL3786286

SCHEMBL3786286

NCc1c(N)cccc1-c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KIT P10721 2/20 0.39
KDR P35968 2/20 0.39
FLT3 P36888 2/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
DPP4 P27487 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
APP P05067 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MAOB P27338 2/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
PRKCZ Q05513 1/20 0.33

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
SCHEMBL3780645 0.86 ALDH1A1 (0.58) LOXL2ALDH1A1HSD17B10KDRCYP3A4
SCHEMBL3784966 0.84 ALDH1A1 (0.40) LOXL2ALDH1A1HSD17B10KITKDR
SCHEMBL31193210 0.82 ALDH1A1 (0.39) ALDH1A1HSD17B10KITKDRFLT3
SCHEMBL29690222 0.81 MAP4K4 (0.47) ALDH1A1HSD17B10KITCYP3A4
SCHEMBL3791283 0.81 MAP4K4 (0.47) ALDH1A1HSD17B10KITCYP3A4
SCHEMBL11631671 0.79 USP7 (0.38) ALDH1A1HSD17B10KITKDRFLT3
SCHEMBL3785208 0.77 ALDH1A1 (0.59) LOXL2ALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL27495768 0.75 LOXL2 (0.65) LOXL2HSD17B10CYP3A4TDP1TAAR1
SCHEMBL4749661 0.74 ALDH1A1 (0.46) ALDH1A1HSD17B10KITKDRFLT3
SCHEMBL599657 0.73 ALDH1A1 (0.71) ALDH1A1HSD17B10KITKDRFLT3

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 LOXL2 1544/4885ALDH1A1 4339/4885HSD17B10 1100/4885

“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.