SCHEMBL23623012

SCHEMBL23623012

Nc1cnc(C2CCN(CC(F)(F)F)CC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 3/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ TYK2 P29597 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ MAPK14 Q16539 1/20 0.37
▸ DCPS Q96C86 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ HPGDS O60760 5/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ IDH1 O75874 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ MAP3K12 Q12852 2/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL24215695 0.86 ADORA2A (0.37) JAK1JAK2JAK3DRD2MAP3K12
SCHEMBL30412721 0.86 ADORA2A (0.37) JAK1JAK2JAK3DRD2MAP3K12
SCHEMBL23623623 0.85 JAK2 (0.40) JAK1JAK2TYK2JAK3DCPS
SCHEMBL23623010 0.85 DRD2 (0.42) JAK1JAK2TYK2JAK3DCPS
SCHEMBL23612018 0.79 DRD2 (0.41) JAK1JAK2TYK2JAK3DCPS
SCHEMBL3371065 0.79 GRM4 (0.32) —
SCHEMBL24215216 0.75 KDM1A (0.39) JAK1JAK2TYK2JAK3MAPK14
SCHEMBL23622940 0.75 SCN10A (0.39) MAPK14PIK3CAPIK3CBDRD2
SCHEMBL23623011 0.74 MAPK14 (0.42) JAK1JAK2TYK2JAK3MAPK14
SCHEMBL25386216 0.74 OPRL1 (0.36) MAP3K12

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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 — — US disclosed
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 — — US disclosed
WO-2022015957-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 — — WO disclosed
WO-2021138434-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-07-08 — — 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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 JAK1 393/4885JAK2 501/4885TYK2 2272/4885

“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.

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