SCHEMBL62486

SCHEMBL62486

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2ccc(O)cc2)[C@@H](O)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
ADORA3 P0DMS8 2/20 0.65
ADORA2A P29274 2/20 0.65
ADORA2B P29275 2/20 0.65
DPP4 P27487 1/20 0.65
MEN1 O00255 1/20 0.65
SLC28A1 O00337 1/20 0.65
MAP3K7 O43318 1/20 0.65
SLC28A2 O43868 1/20 0.65
GAPDH P04406 1/20 0.65
MAPK1 P28482 1/20 0.65
STAT6 P42226 1/20 0.65
PI4KA P42356 1/20 0.65
KMT2A Q03164 1/20 0.65
PI4K2B Q8TCG2 1/20 0.65
DOT1L Q8TEK3 1/20 0.65
SLC29A1 Q99808 1/20 0.65
PI4K2A Q9BTU6 1/20 0.65
SLC28A3 Q9HAS3 1/20 0.65

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
SCHEMBL932846 0.94 ADORA1 (0.65) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL13269154 0.92 PDE2A (0.66) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL13269131 0.92 ADORA1 (0.62) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL13269088 0.92 ADORA1 (0.62) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL4541368 0.92 ADORA1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL622588 0.92 ADORA1 (0.69) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL13268725 0.91 ADORA1 (0.60) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL22458248 0.91 ADORA1 (0.65) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL14696730 0.91 ADORA1 (0.60) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL4537888 0.91 TRDMT1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753432-B2 Compound with analgesic effect for use in prevention and treatment of pain ACADEMIA SINICA (TW) 2023-09-12 US claimed
EP-3573996-B1 COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN ACADEMIA SINICA (TW) 2022-06-15 EP claimed
US-20210205399-A1 Pharmaceutical Composition for Promoting Neurogenesis and Method of Utilizing Gastrodia Elata Extract or Adenosine Analog for Promoting Neurogenesis AXR PHARMA INC. (TW) 2021-07-08 US claimed
US-20200054708-A1 PHARMACEUTICAL COMPOSITION FOR PROMOTING NEUROGENESIS AND METHOD OF UTILIZING GASTRODIA ELATA EXTRACT OR ADENOSINE ANALOG FOR PROMOTING NEUROGENESIS AMX Pharma Inc. (TW) 2020-02-20 US claimed
WO-2018140734-A1 COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN ACADEMIA SINICA (TW) 2018-08-02 WO claimed
US-20170224716-A1 Methods and Compositions for Treating Pain ACADEMIA SINICA (TW) 2017-08-10 US claimed
EP-2849566-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN Academia Sinica (TW) 2015-03-25 EP claimed
CN-104363757-A Methods and compositions for treating pain ACADEMIA SINICA 2015-02-18 CN claimed
US-20150038445-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACADEMIA SINICA (TW) 2015-02-05 US claimed
CN-101602786-B N<6>-substituted adenosine derivative, preparation method thereof, drug composition and application INST MATERIA MEDICA CAMS 2014-04-30 CN claimed
WO-2013120078-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACADEMIA SINICA (TW) 2013-08-15 WO claimed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 US claimed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 EP claimed
US-8129357-B2 N6-(4-hydroxybenzyl)adenosine; Gastrodia extract; neurodegenerative Huntington's disease; trinucleotide repeat disease; hypoglycemic; neurological antiinflammatory; amination of 6-chloropurine ribonucleoside with 4-hydroxybenzylamine; condensation of adenosine with 4-methoxybenzoyl chloride ACADEMIA SINICA (TW) 2012-03-06 US claimed
CN-101602786-A N 6-substituted adenosines derivative, its method for making and pharmaceutical composition and purposes INST MATERIA MEDICA CAMS (CN) 2009-12-16 CN claimed
US-20080176816-A1 Method of making and using an adenosine analogue ACADEMIA SINICA 2008-07-24 US claimed
CN-118063290-A Hexadibenzyl compounds and application thereof in treatment and prevention of diabetes 中国医学科学院药物研究所 2024-05-24 CN disclosed
CN-118063291-A Application of tetrabenzyl compounds in treatment and prevention of diabetes 中国医学科学院药物研究所 2024-05-24 CN disclosed
WO-2009071691-A2 OXINDOLE DERIVATIVES AND THE USE THEREOF AS A MEDICATION ABBOTT GMBH & CO. KG (DE) 2009-06-11 WO disclosed
US-20080176816-A1 Method of making and using an adenosine analogue ACADEMIA SINICA 2008-07-24 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 (5 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-20080176816-A1 Method of making and using an adenosine analogue HTT, ADA, GDA ADORA1 13/4885SMN1; SMN2 321/4885ADORA3 11/4885
US-20170224716-A1 Methods and Compositions for Treating Pain ADORA2A, P2RX3, ADORA1 ADORA1 3/4885SMN1; SMN2 2487/4885ADORA3 12/4885
US-20150038445-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN OPRK1, ADORA2A, P2RX3 ADORA1 6/4885SMN1; SMN2 2370/4885ADORA3 8/4885
US-11753432-B2 Compound with analgesic effect for use in prevention and treatment of pain ADORA2B, ADORA1, ADORA3 ADORA1 2/4885SMN1; SMN2 1353/4885ADORA3 3/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 ADORA1 3/4885SMN1; SMN2 330/4885ADORA3 2/4885

“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.