SCHEMBL3785047

SCHEMBL3785047

Cc1ccc(N)c(C)c1-c1cccc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.49
MAOA P21397 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CASP1 P29466 2/20 0.43
TSHR P16473 3/20 0.43
CYP3A4 P08684 3/20 0.43
PIK3CA P42336 1/20 0.43
MEN1 O00255 1/20 0.43
PSIP1 O75475 1/20 0.43
AXL P30530 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
RECQL P46063 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
MITF O75030 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
SCHEMBL31607642 0.87 MAP4K4 (0.47) MAP4K4MAOAALDH1A1CASP1TSHR
SCHEMBL16431919 0.81 MAP4K4 (0.56) MAP4K4MAOAALDH1A1CASP1TSHR
SCHEMBL3787108 0.80 MAP4K4 (0.51) MAP4K4MAOAALDH1A1CASP1TSHR
SCHEMBL3786470 0.80 MAP4K4 (0.51) MAP4K4MAOAALDH1A1CASP1TSHR
SCHEMBL3789628 0.77 MAOA (0.47) MAP4K4MAOAALDH1A1CASP1TSHR
SCHEMBL31607625 0.77 MAOA (0.47) MAP4K4MAOAALDH1A1CASP1TSHR
SCHEMBL3792051 0.76 CASP1 (0.58) MAP4K4MAOAALDH1A1CASP1TSHR
SCHEMBL3786335 0.76 CYP3A4 (0.71) MAP4K4MAOAALDH1A1CASP1TSHR
SCHEMBL21539290 0.76 MAP4K4 (0.51) MAP4K4MAOAALDH1A1CASP1TSHR
SCHEMBL29557215 0.76 MAP4K4 (0.51) MAP4K4MAOAALDH1A1CASP1TSHR

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 MAP4K4 3704/4885MAOA 348/4885ALDH1A1 4339/4885

“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.