SCHEMBL22049685

SCHEMBL22049685

COc1cc2[nH]cc(N=C=O)c2cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAPT P10636 7/20 0.38
PRKAG1 P54619 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
DYRK1A Q13627 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35

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
SCHEMBL22050221 0.78
SCHEMBL25201342 0.72 TDO2 (0.43) TDO2MTNR1AMTNR1BMAPTPRKAG1
SCHEMBL31438577 0.72 TDO2 (0.43) TDO2MTNR1AMTNR1BMAPTPRKAG1
SCHEMBL24208557 0.72 TDO2 (0.43) TDO2MTNR1AMTNR1BMAPTPRKAG1
SCHEMBL30057104 0.72 CCNT1 (0.44) TDO2MTNR1AMTNR1BMAPTPRKAG1
SCHEMBL3033737 0.72 MAPT (0.55) TDO2MTNR1AMTNR1BMAPTPRKAG1
SCHEMBL22049684 0.70 TDO2 (0.39) TDO2MTNR1AMTNR1BMAPTPRKAG1
SCHEMBL22049449 0.69 CYP3A4 (0.37) CYP3A4
SCHEMBL22049412 0.68 HTR6 (0.44) MAPTDYRK1A
SCHEMBL29872631 0.68 MAPT (0.41) TDO2MTNR1AMTNR1BMAPTPRKAG1

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 4562/4885MTNR1A 2205/4885MTNR1B 2787/4885

“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.