SCHEMBL20711307

SCHEMBL20711307

Nc1ccccc1/C=C/S(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 13/20 0.67
▸ ADORA2A P29274 11/20 0.67
▸ ADORA1 P30542 11/20 0.67
▸ GPR17 Q13304 2/20 0.56
▸ ADORA2B P29275 4/20 0.54

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
SCHEMBL20711282 0.87 IMPDH2 (0.53) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20711344 0.85 ADORA2A (0.67) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20711215 0.85 DPP4 (0.58) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20711306 0.83 ADORA3 (0.65) ADORA3ADORA2AADORA1GPR17ADORA2B
SCHEMBL20711321 0.81 ADORA2A (0.53) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20711332 0.81 ADORA2A (0.58) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20711221 0.79 DPP4 (0.56) —
SCHEMBL20711334 0.78 RNMT (0.55) ADORA2AADORA2B
SCHEMBL20711233 0.78 TRPM2 (0.58) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL22837893 0.78 TRPM2 (0.58) ADORA3ADORA2AADORA1ADORA2B

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 ADORA3 6/4885ADORA2A 5/4885ADORA1 3/4885
US-20190038656-A1 ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ATIC, SLC35B2, ADORA1 ADORA3 6/4885ADORA2A 5/4885ADORA1 3/4885

“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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