SCHEMBL22777963

SCHEMBL22777963

CC(=O)n1cc(C#N)c2ccc(N)cc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.48
STAT3 P40763 1/20 0.40
POLB P06746 1/20 0.40
IMPDH2 P12268 5/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
MDM4 O15151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL29714400 1.00 ELANE (0.48) ELANESTAT3POLBIMPDH2MAPT
SCHEMBL22778089 0.78 IMPDH2 (0.56) ELANESTAT3POLBIMPDH2ALDH1A1
SCHEMBL2850331 0.76 IMPDH2 (0.59) IMPDH2ALDH1A1KDM4EUSP2MDM4
SCHEMBL28592975 0.73 XDH (0.45) IMPDH2ALDH1A1KDM4EUSP2
SCHEMBL22803942 0.72 IMPDH2 (0.55) ELANEIMPDH2
SCHEMBL28608931 0.72 XDH (0.45) STAT3POLBMAPTALDH1A1KDM4E
SCHEMBL16455338 0.71 HTR6 (0.44) ELANEPOLBMAPTALDH1A1KDM4E
SCHEMBL22803937 0.71 IMPDH2 (0.56) ELANEIMPDH2MAPTKMT2A
SCHEMBL14467149 0.70 ESRRA (0.50)
SCHEMBL28599998 0.70 XDH (0.48) STAT3POLBMAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO 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-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ELANE 892/4885STAT3 19/4885POLB 394/4885

“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.