SCHEMBL19220693

SCHEMBL19220693

OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(Br)cc4)ncnc32)C(O)[C@H]1O

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 5/20 0.82
ADORA3 P0DMS8 2/20 0.82
TP53 P04637 1/20 0.82
TDP1 Q9NUW8 1/20 0.82
PRKAG1 P54619 1/20 0.76
PRKAA1 Q13131 1/20 0.76
PRKAB1 Q9Y478 1/20 0.76
ADORA2A P29274 1/20 0.72
ADORA1 P30542 1/20 0.72

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
SCHEMBL15189027 1.00 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1PRKAG1
SCHEMBL638677 1.00 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1PRKAG1
SCHEMBL19225555 1.00 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1PRKAG1
SCHEMBL17825967 1.00 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1PRKAG1
SCHEMBL15189016 1.00 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1PRKAG1
SCHEMBL17824447 1.00 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1PRKAG1
SCHEMBL638678 1.00 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1PRKAG1
SCHEMBL638299 0.92 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1PRKAG1
SCHEMBL638298 0.92 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1PRKAG1
SCHEMBL91169 0.92 SLC29A1 (0.85) SLC29A1ADORA3TP53TDP1PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224716-A1 Methods and Compositions for Treating Pain ACADEMIA SINICA (TW) 2017-08-10 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 (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-20170224716-A1 Methods and Compositions for Treating Pain ADORA2A, P2RX3, ADORA1 SLC29A1 1691/4885ADORA3 12/4885TP53 4819/4885

“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.