Sugi Predict

Sugi Predict / Compounds / SCHEMBL743586

SCHEMBL743586

SCHEMBL743586

COc1cccc(CNc2nc(SCc3ccccc3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.60
▸ SLC29A1 Q99808 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ PAX8 Q06710 1/20 0.54
▸ ADORA2A P29274 2/20 0.54
▸ ADORA1 P30542 2/20 0.54
▸ STAT6 P42226 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ GMNN O75496 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ PMP22 Q01453 1/20 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
SCHEMBL743587 1.00 ADORA3 (0.60) ADORA3SLC29A1TP53TDP1PAX8
SCHEMBL743869 0.90 ADORA3 (0.57) ADORA3PAX8ADORA2AADORA1STAT6
SCHEMBL743870 0.90 ADORA3 (0.57) ADORA3PAX8ADORA2AADORA1STAT6
SCHEMBL742120 0.86 ADORA2A (0.59) ADORA3PAX8ADORA2AADORA1STAT6
SCHEMBL742119 0.86 ADORA2A (0.59) ADORA3PAX8ADORA2AADORA1STAT6
SCHEMBL740871 0.85 ADORA3 (0.64) ADORA3PAX8ADORA2AADORA1STAT6
SCHEMBL774632 0.85 ADORA3 (0.64) ADORA3PAX8ADORA2AADORA1STAT6
SCHEMBL638869 0.83 PAX8 (0.75) ADORA3SLC29A1TP53TDP1PAX8
SCHEMBL17825987 0.83 PAX8 (0.75) ADORA3SLC29A1TP53TDP1PAX8
SCHEMBL638870 0.83 PAX8 (0.75) ADORA3SLC29A1TP53TDP1PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430036-B1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2014-07-30 — — EP disclosed
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2014-03-06 — — US disclosed
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-03-22 — — US disclosed
EP-2430036-A1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2012-03-21 — — EP disclosed
WO-2010130233-A1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2010-11-18 — — WO 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-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives PNP, NUDT1, TYMP ADORA3 363/4885SLC29A1 127/4885TP53 1224/4885
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives CD38, NUDT1, PNP ADORA3 191/4885SLC29A1 99/4885TP53 1466/4885

“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.