SCHEMBL16671230

SCHEMBL16671230

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2ccsc2Br)[C@@H](O)[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.61
ADORA3 P0DMS8 2/20 0.61
ADORA2A P29274 2/20 0.61
ADORA2B P29275 2/20 0.61
P2RY1 P47900 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
P2RY2 P41231 3/20 0.59
SRC P12931 2/20 0.59
DNPH1 O43598 1/20 0.59
PRKAB2 O43741 1/20 0.59
TRPM2 O94759 1/20 0.59
LDHA P00338 1/20 0.59
ADRB2 P07550 1/20 0.59
FBP1 P09467 1/20 0.59
PRKAG1 P54619 1/20 0.59
PRKAA2 P54646 1/20 0.59
PDE4D Q08499 1/20 0.59
KCNH2 Q12809 1/20 0.59
PRKAA1 Q13131 1/20 0.59
PDE3A Q14432 1/20 0.59

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
SCHEMBL16670623 0.90 ADORA1 (0.62) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL16671231 0.89 ADORA1 (0.59) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL16670084 0.86 ADORA1 (0.62) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL16670676 0.86 ADORA1 (0.64) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL16670974 0.85 ADORA1 (0.61) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL16670245 0.85 ADORA1 (0.59) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL13269106 0.85 ADORA1 (0.61) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL4541368 0.84 ADORA1 (0.64) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL13268661 0.83 ADORA1 (0.63) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL16671284 0.83 ADORA1 (0.60) ADORA1ADORA3ADORA2AADORA2BP2RY1

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
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
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
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 ADORA1 6/4885ADORA3 2/4885ADORA2A 1/4885
US-10301348-B2 Compounds for use in prevention and treatment of neurodegenerative diseases and pain ADORA2A, ADORA3, ADORA2B ADORA1 6/4885ADORA3 2/4885ADORA2A 1/4885

“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.