SCHEMBL3789670

SCHEMBL3789670

Cc1ccc(-c2ccc(CN)cc2)c(CN)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
AKT2 P31751 1/20 0.45
BACE1 P56817 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
TAAR1 Q96RJ0 6/20 0.41
CSNK2A1 P68400 2/20 0.40
DPP4 P27487 1/20 0.38
PLG P00747 2/20 0.38
KLK1 P06870 2/20 0.38
KLK6 Q92876 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL3791657 0.85 AKT2 (0.49) HRH3AKT2BACE1CD274TAAR1
SCHEMBL3784856 0.84 HTR7 (0.44) TAAR1CSNK2A1DPP4PLG
SCHEMBL3786898 0.83 DPP4 (0.59) CD274TAAR1CSNK2A1DPP4CNR1
SCHEMBL20530624 0.80 MAP2K4 (0.47) CD274TAAR1DPP4
SCHEMBL22400156 0.79 HRH3 (0.48) HRH3AKT2BACE1CD274TAAR1
SCHEMBL21859425 0.79 HRH3 (0.43) HRH3AKT2BACE1CD274TAAR1
SCHEMBL27936615 0.78 HRH3 (0.46) HRH3AKT2BACE1CD274TAAR1
SCHEMBL260102 0.75 HRH3 (0.74) HRH3AKT2BACE1TAAR1CYP1A2
SCHEMBL3789540 0.75 HRH3 (0.52) HRH3AKT2BACE1CD274TAAR1
SCHEMBL21725464 0.74 HRH3 (0.42) HRH3AKT2BACE1CD274TAAR1

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 HRH3 169/4885AKT2 3144/4885BACE1 925/4885

“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.