SCHEMBL20711217

SCHEMBL20711217

NCc1ccc(Nc2nc(N)c3ncn([C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5N)[C@@H](O)[C@H]4O)c3n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPM2 O94759 1/20 0.61
▸ ADORA2A P29274 1/20 0.56
▸ ADORA2B P29275 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ THPO P40225 1/20 0.56

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
SCHEMBL20711392 0.94 TRPM2 (0.59) TRPM2
SCHEMBL20711297 0.94 TRPM2 (0.65) TRPM2ADORA2AADORA2BCYP1A2THPO
SCHEMBL20711316 0.90 TRPM2 (0.61) TRPM2
SCHEMBL20711324 0.89 CYP1A2 (0.57) ADORA2AADORA2BCYP1A2THPO
SCHEMBL2295419 0.84 TRPM2 (0.69) TRPM2
SCHEMBL20711203 0.84 TRPM2 (0.66) TRPM2
SCHEMBL20711322 0.83 CYP1A2 (0.55) ADORA2AADORA2BCYP1A2THPO
SCHEMBL22837890 0.82 TRPM2 (0.86) TRPM2
SCHEMBL20711186 0.82 TRPM2 (0.86) TRPM2
SCHEMBL20711343 0.82 ADORA2A (0.66) ADORA2AADORA2BCYP1A2THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10874686-B2 Anthranilyl-adenosinemonosulfamate analogs and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-12-29 — — US disclosed
US-20190038656-A1 ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF Memorial Slooan-Kettering Cancer Center (US) 2019-02-07 — — 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 (2 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-10874686-B2 Anthranilyl-adenosinemonosulfamate analogs and uses thereof ATIC, SLC35B2, ADORA1 TRPM2 2028/4885ADORA2A 5/4885ADORA2B 10/4885
US-20190038656-A1 ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ATIC, SLC35B2, ADORA1 TRPM2 2028/4885ADORA2A 5/4885ADORA2B 10/4885

“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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