SCHEMBL16671271

SCHEMBL16671271

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2cscc2Cl)[C@@H](O)[C@H]1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.60
ADORA1 P30542 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
P2RY2 P41231 3/20 0.60
ADORA3 P0DMS8 2/20 0.60
ADORA2A P29274 2/20 0.60
ADORA2B P29275 2/20 0.60
SRC P12931 2/20 0.60
DPP4 P27487 1/20 0.60
MEN1 O00255 1/20 0.60
SLC28A1 O00337 1/20 0.60
MAP3K7 O43318 1/20 0.60
SLC28A2 O43868 1/20 0.60
GAPDH P04406 1/20 0.60
MAPK1 P28482 1/20 0.60
STAT6 P42226 1/20 0.60
PI4KA P42356 1/20 0.60
KMT2A Q03164 1/20 0.60
PI4K2B Q8TCG2 1/20 0.60
DOT1L Q8TEK3 1/20 0.60

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
SCHEMBL16670974 0.90 ADORA1 (0.61) P2RY1ADORA1SMN1; SMN2P2RY2ADORA3
SCHEMBL16671231 0.86 ADORA1 (0.59) P2RY1ADORA1SMN1; SMN2P2RY2ADORA3
SCHEMBL16670245 0.84 ADORA1 (0.59) P2RY1ADORA1SMN1; SMN2P2RY2ADORA3
SCHEMBL16671072 0.84 P2RY1 (0.59) P2RY1ADORA1SMN1; SMN2P2RY2ADORA3
SCHEMBL16670598 0.84 ADORA1 (0.61) P2RY1ADORA1SMN1; SMN2P2RY2ADORA3
SCHEMBL16670667 0.84 P2RY1 (0.58) P2RY1ADORA1SMN1; SMN2P2RY2ADORA3
SCHEMBL13269366 0.83 ADORA1 (0.60) P2RY1ADORA1SMN1; SMN2P2RY2ADORA3
SCHEMBL13269154 0.83 PDE2A (0.66) P2RY1ADORA1SMN1; SMN2P2RY2ADORA3
SCHEMBL8328542 0.83 ADORA1 (0.74) P2RY1ADORA1SMN1; SMN2P2RY2ADORA3
SCHEMBL16671230 0.83 ADORA1 (0.61) P2RY1ADORA1SMN1; SMN2P2RY2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145562-A1 METHOD OF TREATING SLEEP DISRUPTIONS AND COMPOSITION FOR USE THEREIN ACADEMIA SINICA (TW) 2024-07-04 WO claimed
WO-2024010910-A1 METHOD OF TREATING SCHIZOPHRENIA AND COMPOSITION FOR USE THEREIN ACADEMIA SINICA (TW) 2024-01-11 WO claimed
WO-2023154804-A2 METHOD OF TREATING SPINAL CORD INJURY AND COMPOSITION FOR USE THEREIN ACADEMICA SINICA (TW) 2023-08-17 WO claimed
US-10301348-B2 Compounds for use in prevention and treatment of neurodegenerative diseases and pain ACADEMIA SINICA (TW) 2019-05-28 US claimed
EP-3060566-B1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ACADEMIA SINICA (TW) 2018-09-05 EP claimed
US-20160264613-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ACADEMIA SINICA (TW) 2016-09-15 US claimed
EP-3060566-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN Academia Sinica (TW) 2016-08-31 EP claimed
WO-2015061426-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ACADEMIA SINICA (TW) 2015-04-30 WO claimed
WO-2024145562-A1 METHOD OF TREATING SLEEP DISRUPTIONS AND COMPOSITION FOR USE THEREIN ACADEMIA SINICA (TW) 2024-07-04 WO disclosed
WO-2024010910-A1 METHOD OF TREATING SCHIZOPHRENIA AND COMPOSITION FOR USE THEREIN ACADEMIA SINICA (TW) 2024-01-11 WO disclosed
WO-2023154804-A2 METHOD OF TREATING SPINAL CORD INJURY AND COMPOSITION FOR USE THEREIN ACADEMICA SINICA (TW) 2023-08-17 WO disclosed
US-10301348-B2 Compounds for use in prevention and treatment of neurodegenerative diseases and pain ACADEMIA SINICA (TW) 2019-05-28 US disclosed
US-10301348-B2 Compounds for use in prevention and treatment of neurodegenerative diseases and pain ACADEMIA SINICA (TW) 2019-05-28 US disclosed
EP-3060566-B1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ACADEMIA SINICA (TW) 2018-09-05 EP disclosed
US-20160264613-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ACADEMIA SINICA (TW) 2016-09-15 US disclosed
US-20160264613-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ACADEMIA SINICA (TW) 2016-09-15 US disclosed
EP-3060566-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN Academia Sinica (TW) 2016-08-31 EP disclosed
WO-2015061426-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ACADEMIA SINICA (TW) 2015-04-30 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-20160264613-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ADORA2A, ADORA3, ADORA2B P2RY1 31/4885ADORA1 6/4885SMN1; SMN2 63/4885
US-10301348-B2 Compounds for use in prevention and treatment of neurodegenerative diseases and pain ADORA2A, ADORA3, ADORA2B P2RY1 31/4885ADORA1 6/4885SMN1; SMN2 63/4885

“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.