SCHEMBL22049684

SCHEMBL22049684

COc1cc2[nH]cc(OC#N)c2cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.39
DYRK1A Q13627 3/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 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
SCHEMBL22050222 0.79 CLK1 (0.30) CLK1
SCHEMBL30057104 0.79 CCNT1 (0.44) TDO2DYRK1AMTNR1AMTNR1BGABRP
SCHEMBL31438577 0.73 TDO2 (0.43) TDO2DYRK1AMTNR1AMTNR1BGABRP
SCHEMBL25201342 0.73 TDO2 (0.43) TDO2DYRK1AMTNR1AMTNR1BGABRP
SCHEMBL24208557 0.73 TDO2 (0.43) TDO2DYRK1AMTNR1AMTNR1BGABRP
SCHEMBL22049447 0.70 CYP2C9 (0.36) DYRK1A
SCHEMBL3033737 0.70 MAPT (0.55) TDO2DYRK1AMTNR1AMTNR1BGABRP
SCHEMBL22049685 0.70 TDO2 (0.39) TDO2DYRK1AMTNR1AMTNR1BGABRP
SCHEMBL22049415 0.69 HTR6 (0.44) DYRK1ACLK1KIF20A
SCHEMBL22049682 0.68 PDE9A (0.39) PDE9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2020-06-04 US 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-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TDO2 4562/4885DYRK1A 4056/4885MTNR1A 2205/4885

“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.