SCHEMBL22907602

SCHEMBL22907602

CC(C)(C)c1ncncc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SYK P43405 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
NNMT P40261 5/20 0.34
RPS6KB1 P23443 10/20 0.34
AKT1 P31749 5/20 0.34
DGAT1 O75907 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
ADRA1A P35348 1/20 0.33
MC3R P41968 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
SCHEMBL1012918 0.83 HCAR2 (0.39) TDP1L3MBTL1DGAT1
SCHEMBL8580209 0.81 DGAT1 (0.33) TDP1SYKDGAT1
SCHEMBL23631773 0.81 SYK (0.48) SIRT3TDP1SYKRPS6KB1AKT1
SCHEMBL1012427 0.75 KDM4E (0.49) L3MBTL1TSHR
SCHEMBL24166309 0.75 SIRT3 (0.50) SIRT3TDP1SYKNNMTRPS6KB1
SCHEMBL24943308 0.73 NNMT (0.37) SIRT3TDP1L3MBTL1NNMT
SCHEMBL179378 0.73 KDM4E (0.47) L3MBTL1NNMT
SCHEMBL14726086 0.73 SYK (0.42) SIRT3TDP1SYKL3MBTL1NNMT
SCHEMBL8576768 0.73 ADORA1 (0.44)
SCHEMBL8577797 0.73 TYK2 (0.40) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-27 US disclosed
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-27 US disclosed
US-11542293-B2 Sting modulator compounds, and methods of making and using TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-03 US disclosed
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-06-10 US disclosed
US-20210015915-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-01-21 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 (4 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-11542293-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS SIRT3 4105/4885TDP1 78/4885SYK 94/4885
US-20210015915-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING STING1, CGAS, TBK1 SIRT3 2891/4885TDP1 61/4885SYK 18/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS SIRT3 4105/4885TDP1 78/4885SYK 94/4885
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS SIRT3 4105/4885TDP1 78/4885SYK 94/4885

“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.