SCHEMBL3785979

SCHEMBL3785979

Cc1ccc(CN)cc1-c1ccccc1CN

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.51
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A3 Q8NEV1 1/20 0.51
DPP4 P27487 2/20 0.47
HTR7 P34969 5/20 0.42
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
PLA2G7 Q13093 1/20 0.39
TAAR1 Q96RJ0 2/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.35
DHFR P00374 1/20 0.35
PNMT P11086 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL18934330 0.89 HTR7 (0.47) CSNK2A1CSNK2A2CSNK2BCSNK2A3DPP4
SCHEMBL3786561 0.87 CSNK2A1 (0.57) CSNK2A1CSNK2A2CSNK2BCSNK2A3DPP4
SCHEMBL2482120 0.85 DPP4 (0.57) CSNK2A1CSNK2A2CSNK2BCSNK2A3DPP4
SCHEMBL8254791 0.84 DPP4 (0.48) CSNK2A1CSNK2A2CSNK2BCSNK2A3DPP4
SCHEMBL3785998 0.78 CSNK2A1 (0.58) CSNK2A1CSNK2A2CSNK2BCSNK2A3DPP4
SCHEMBL3787333 0.76 DPP4 (0.73) CSNK2A1CSNK2A2CSNK2BCSNK2A3DPP4
SCHEMBL2221947 0.74 TAAR1 (0.43) CSNK2A1CSNK2A2CSNK2BCSNK2A3TAAR1
SCHEMBL27884269 0.74 ESR2 (0.53) CSNK2A1CSNK2A2CSNK2BCSNK2A3DPP4
SCHEMBL3750586 0.74 DPP4 (0.46) CSNK2A1CSNK2A2CSNK2BCSNK2A3DPP4
SCHEMBL3780634 0.73 HRH3 (0.52) CSNK2A1HTR7NOS3NOS1NOS2

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 3 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
CN-101215468-A Light-emitting component iridium complex compound CHI MEI OPTOELECTRONICS CO LTD (CN) 2008-07-09 CN 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 4767/4885CSNK2A2 4662/4885CSNK2B 4506/4885

“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.