SCHEMBL20711181

SCHEMBL20711181

Nc1ccccc1C(=O)OP(=O)(O)OC[C@H]1OC[C@@](O)(n2cnc3c(N)ncnc32)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.43
▸ P2RX3 P56373 4/20 0.43
▸ P2RX4 Q99571 4/20 0.43
▸ P2RX2 Q9UBL9 4/20 0.43
▸ P2RX1 P51575 3/20 0.43
▸ P2RY2 P41231 2/20 0.43
▸ P2RX7 Q99572 2/20 0.43
▸ SRC P12931 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ENPP1 P22413 1/20 0.41
▸ P2RX6 O15547 1/20 0.41
▸ P2RX5 Q93086 1/20 0.41
▸ P2RY11 Q96G91 1/20 0.41
▸ ADH1A P07327 1/20 0.41
▸ MACROD2 A1Z1Q3 1/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.41
▸ MACROD1 Q9BQ69 1/20 0.41

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
SCHEMBL20711180 0.81 TRPM2 (0.56) —
SCHEMBL22918363 0.77 POLB (0.54) P2RY1P2RX3P2RX1ALDH1A1ENPP1
SCHEMBL21311195 0.74 EGFR (0.44) —
SCHEMBL23025515 0.73 ADORA3 (0.53) SMN1; SMN2
SCHEMBL25521510 0.73 ADORA3 (0.53) SMN1; SMN2
SCHEMBL21311216 0.73 ADORA2A (0.47) SMN1; SMN2
SCHEMBL22837903 0.73 TRPM2 (0.46) —
SCHEMBL21283050 0.72 P2RX3 (0.45) P2RY1P2RX3P2RX4P2RX2P2RX1
SCHEMBL21311217 0.72 ADORA2A (0.47) SMN1; SMN2
SCHEMBL21311154 0.72 ADORA3 (0.47) SMN1; SMN2

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 P2RY1 22/4885P2RX3 78/4885P2RX4 74/4885
US-20190038656-A1 ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ATIC, SLC35B2, ADORA1 P2RY1 22/4885P2RX3 78/4885P2RX4 74/4885

“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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