SCHEMBL3785998

SCHEMBL3785998

Cc1ccc(CN)cc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.58
TAAR1 Q96RJ0 3/20 0.52
BACE1 P56817 1/20 0.46
HTR7 P34969 1/20 0.45
DPP4 P27487 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR2 Q92731 1/20 0.40
SGK1 O00141 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
AKT2 P31751 1/20 0.39
CYP2A6 P11509 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
SCHEMBL3780634 0.88 HRH3 (0.52) CSNK2A1TAAR1BACE1HTR7LOXL2
SCHEMBL3785045 0.87 HTR7 (0.56) CSNK2A1TAAR1HTR7LOXL2CD274
SCHEMBL2572842 0.85 CSNK2A1 (0.62) CSNK2A1TAAR1BACE1HTR7DPP4
SCHEMBL18934330 0.84 HTR7 (0.47) CSNK2A1TAAR1HTR7DPP4LOXL2
SCHEMBL2208511 0.82 ESR2 (0.46) BACE1MEN1LMNAGAAKMT2A
SCHEMBL27508195 0.82 CSNK2A1 (0.69) CSNK2A1TAAR1BACE1DPP4LOXL2
Toluene SCHEMBL28751232 0.80 CSNK2A1 (0.57) CSNK2A1TAAR1BACE1DPP4LOXL2
SCHEMBL6547024 0.79 PSMB5 (0.50) BACE1HTR7MEN1LMNAGAA
SCHEMBL3789650 0.78 CSNK2A1 (0.59) CSNK2A1TAAR1BACE1DPP4LOXL2
SCHEMBL3785979 0.78 CSNK2A1 (0.51) CSNK2A1TAAR1HTR7DPP4LOXL2

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 CSNK2A1 4767/4885TAAR1 1746/4885BACE1 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.