SCHEMBL20711343

SCHEMBL20711343

Nc1ccccc1C(=O)NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(N)nc(Nc4ccccc4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.66
▸ CYP1A2 P05177 2/20 0.66
▸ ADORA2B P29275 1/20 0.66
▸ THPO P40225 1/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ BLM P54132 1/20 0.66
▸ IMPDH2 P12268 1/20 0.53
▸ IMPDH1 P20839 1/20 0.53
▸ ADORA3 P0DMS8 2/20 0.51
▸ ADORA1 P30542 2/20 0.51
▸ HINT1 P49773 1/20 0.51

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
SCHEMBL22837921 1.00 ADORA2A (0.66) ADORA2ACYP1A2ADORA2BTHPOMEN1
SCHEMBL20711324 0.94 CYP1A2 (0.57) ADORA2ACYP1A2ADORA2BTHPOMEN1
SCHEMBL20711322 0.92 CYP1A2 (0.55) ADORA2ACYP1A2ADORA2BTHPOMEN1
SCHEMBL20711330 0.90 ADORA2A (0.52) ADORA2ACYP1A2ADORA2BTHPOMEN1
SCHEMBL20711297 0.88 TRPM2 (0.65) ADORA2ACYP1A2ADORA2BTHPOMEN1
SCHEMBL20711287 0.88 IMPDH2 (0.52) ADORA2AADORA2BIMPDH2IMPDH1
SCHEMBL20711306 0.85 ADORA3 (0.65) ADORA2AADORA2BADORA3ADORA1
SCHEMBL20711309 0.85 TRPM2 (0.66) —
SCHEMBL20711344 0.83 ADORA2A (0.67) ADORA2ACYP1A2ADORA2BTHPOMEN1
SCHEMBL22133475 0.82 CYP1A2 (0.50) ADORA2ACYP1A2ADORA2BTHPOMEN1

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 ADORA2A 5/4885CYP1A2 778/4885ADORA2B 10/4885
US-20190038656-A1 ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ATIC, SLC35B2, ADORA1 ADORA2A 5/4885CYP1A2 778/4885ADORA2B 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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