SCHEMBL23015245

SCHEMBL23015245

CCOC(=O)c1ccc(-c2ccncc2)nn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 2/20 0.59
▸ MAPK1 P28482 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ CDC7 O00311 9/20 0.49
▸ DBF4 Q9UBU7 8/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CLK1 P49759 1/20 0.45
▸ UBE2N P61088 1/20 0.45
▸ ROCK2 O75116 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ HIPK2 Q9H2X6 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP13 P45452 1/20 0.44

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
SCHEMBL31149180 1.00 CASP1 (0.59) CASP1MAPK1MAPTNPSR1RXFP1
SCHEMBL30831836 0.86 CYP1A2 (0.51) MAPK1MAPTNPSR1ALDH1A1HPGD
SCHEMBL5642066 0.82 CYP1A2 (0.64) MAPTALDH1A1HSD17B10CYP1A2KMT2A
SCHEMBL31149187 0.78 CYP1A2 (0.43) CASP1MAPTCDC7DBF4ALDH1A1
SCHEMBL23015323 0.78 CYP1A2 (0.43) CASP1MAPTCDC7DBF4ALDH1A1
SCHEMBL5549764 0.77 CDC7 (0.53) CASP1MAPK1MAPTCDC7DBF4
SCHEMBL5899800 0.75 CASP1 (0.74) CASP1MAPK1MAPTNPSR1RXFP1
SCHEMBL13197220 0.75 CYP1A2 (0.56) MAPTALDH1A1HSD17B10CYP1A2KMT2A
SCHEMBL29524945 0.75 CYP1A2 (0.56) MAPTALDH1A1HSD17B10CYP1A2KMT2A
SCHEMBL1645260 0.75 CYP1A2 (0.56) MAPTNPSR1ALDH1A1HPGDCYP1A2

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-20220288065-A1 MONOCYCLIC AGONISTS OF STIMULATOR OF INTERFERON GENES STING THE SCRIPPS RESEARCH INSTITUTE 2022-09-15 — — US disclosed
CN-114981256-A Single-ring agonists of the interferon gene stimulator STING 斯克里普斯研究学院 2022-08-30 — — CN disclosed
EP-4017592-A1 MONOCYCLIC AGONISTS OF STIMULATOR OF INTERFERON GENES STING The Scripps Research Institute (US) 2022-06-29 — — EP disclosed
WO-2021035257-A1 MONOCYCLIC AGONISTS OF STIMULATOR OF INTERFERON GENES STING THE SCRIPPS RESEARCH INSTITUTE (US) 2021-02-25 — — 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-20220288065-A1 MONOCYCLIC AGONISTS OF STIMULATOR OF INTERFERON GENES STING STING1, IRF3, CGAS CASP1 403/4885MAPK1 3141/4885MAPT 4801/4885

“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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