SCHEMBL12848867

SCHEMBL12848867

Cc1nc(C(C)C)cn1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24956338 0.83 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL12165477 0.77
SCHEMBL8737200 0.76 ALDH1A1 (0.32)
SCHEMBL22667886 0.76 NOS3 (0.36) NOS3NOS1NOS2SMN1; SMN2
SCHEMBL4100466 0.74 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL27362074 0.73
SCHEMBL25159748 0.73 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL19209829 0.73 ALPL (0.31)
SCHEMBL22849636 0.72 ADORA3 (0.39) SMN1; SMN2
SCHEMBL22850979 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 US disclosed
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
WO-2022015975-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 WO disclosed
US-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2019-04-18 US disclosed
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 US disclosed
US-9896458-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2018-02-20 US disclosed
US-9896458-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2018-02-20 US disclosed
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 US disclosed
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 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 (7 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-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB NOS3 2373/4885NOS1 3430/4885NOS2 3419/4885
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NOS3 1311/4885NOS1 770/4885NOS2 1010/4885
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB NOS3 2373/4885NOS1 3430/4885NOS2 3419/4885
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NOS3 1311/4885NOS1 770/4885NOS2 1010/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 NOS3 248/4885NOS1 335/4885NOS2 211/4885
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB NOS3 2373/4885NOS1 3430/4885NOS2 3419/4885
US-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB NOS3 2373/4885NOS1 3430/4885NOS2 3419/4885

“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.