SCHEMBL16671072

SCHEMBL16671072

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2cc(Cl)cs2)[C@@H](O)[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.59
ADORA1 P30542 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
P2RY2 P41231 3/20 0.59
SRC P12931 2/20 0.59
TAS1R3 Q7RTX0 2/20 0.59
TAS1R1 Q7RTX1 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
P2RY11 Q96G91 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
SCHEMBL16670084 0.90 ADORA1 (0.62) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL16670667 0.86 P2RY1 (0.58) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL16670598 0.85 ADORA1 (0.61) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL16671271 0.84 P2RY1 (0.60) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL13269154 0.84 PDE2A (0.66) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL16670245 0.84 ADORA1 (0.59) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL16671231 0.84 ADORA1 (0.59) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL13269106 0.83 ADORA1 (0.61) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL16671284 0.83 ADORA1 (0.60) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL16670676 0.82 ADORA1 (0.64) P2RY1ADORA1SMN1; SMN2P2RY2SRC

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 14 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
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
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.