SCHEMBL3784785

SCHEMBL3784785

Cc1c(CN)cccc1-c1ccc(CN)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 8/20 0.53
PDCD1 Q15116 5/20 0.52
DPP4 P27487 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
TAAR1 Q96RJ0 4/20 0.47
AKT2 P31751 1/20 0.46
ADRB2 P07550 1/20 0.41
LTA4H P09960 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
TLR8 Q9NR97 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL3793203 0.86 CD274 (0.69) CD274PDCD1DPP4TAAR1
SCHEMBL22866559 0.86 CD274 (0.61) CD274PDCD1HRH3TAAR1AKT2
SCHEMBL8435959 0.85 CD274 (0.53) CD274PDCD1DPP4
SCHEMBL3789280 0.84 HTR7 (0.49) CD274PDCD1DPP4TAAR1CSNK2A2
SCHEMBL3789431 0.82 DPP4 (0.72) CD274DPP4HRH3TAAR1AKT2
SCHEMBL24613468 0.79 CD274 (0.51) CD274PDCD1HRH3TAAR1AKT2
SCHEMBL3805255 0.78 DPP4 (0.55) CD274PDCD1DPP4TAAR1CSNK2A2
SCHEMBL22400162 0.77 CSNK2A1 (0.58) CD274DPP4HRH3TAAR1AKT2
SCHEMBL28089504 0.77 TAAR1 (0.68) CD274DPP4HRH3TAAR1AKT2
SCHEMBL23078795 0.76 CD274 (0.58) CD274PDCD1

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 CD274 1253/4885PDCD1 465/4885DPP4 3267/4885

“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.