SCHEMBL16585684

SCHEMBL16585684

CCCCCC#Cc1nc(N)c2nc[nH]c2n1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.48
▸ ADORA2A P29274 9/20 0.46
▸ ADORA2B P29275 6/20 0.44
▸ ADORA1 P30542 1/20 0.42

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
SCHEMBL15253136 0.99 ADORA2A (0.47) ADORA3ADORA2AADORA2BADORA1
SCHEMBL29108596 0.96 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1
SCHEMBL16585685 0.79 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1
SCHEMBL29108561 0.79 ADORA3 (0.52) ADORA3ADORA2AADORA2BADORA1
SCHEMBL15253137 0.78 ADORA3 (0.60) ADORA3ADORA2AADORA2BADORA1
SCHEMBL4551801 0.73 ADORA2A (0.44) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968336 0.73 ADORA3 (0.64) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968745 0.72 ADORA3 (0.46) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7490404 0.72 ADORA2A (0.43) ADORA3ADORA2AADORA2BADORA1
SCHEMBL24207973 0.71 KCNH3 (0.41) ADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020061211-A1 USE OF HIGHLY-SELECTIVE ADENOSINE 3A RECEPTOR SUBTYPE AGONISTS SAINT LOUIS UNIVERSITY (US) 2020-03-26 — — WO claimed
US-20220218712-A1 TREATMENT OF ALZHEIMER'S DISEASE SAINT LOUIS UNIVERSITY 2022-07-14 — — US disclosed
US-20220117985-A1 TREATMENT OF CHRONIC HEADACHES UNIVERSITY OF MARYLAND, BALTIMORE 2022-04-21 — — US disclosed
WO-2020168274-A1 TREATMENT OF CHRONIC HEADACHES SAINT LOUIS UNIVERSITY (US) 2020-08-20 — — WO disclosed
WO-2020061211-A1 USE OF HIGHLY-SELECTIVE ADENOSINE 3A RECEPTOR SUBTYPE AGONISTS SAINT LOUIS UNIVERSITY (US) 2020-03-26 — — WO disclosed
US-20190343860-A1 HIGHLY SELECTIVE ADENOSINE A3 RECEPTOR SUBTYPE AGONISTS FOR THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISORDERS SAINT LOUIS UNIVERSITY (US) 2019-11-14 — — US disclosed
WO-2017189504-A1 HIGHLY SELECTIVE ADENOSINE A3 RECEPTOR SUBTYPE AGONSISTS FOR THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISORDERS SAINT LOUIS UNIVERSITY (US) 2017-11-02 — — WO disclosed
US-20150087613-A1 Inhibition of Opioid Antinociceptive Tolerance and Withdrawal in Nociceptive Pain Therapy SAINT LOUIS UNIVERSITY 2015-03-26 — — 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 (4 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-20220218712-A1 TREATMENT OF ALZHEIMER'S DISEASE ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885ADORA2B 4/4885
US-20190343860-A1 HIGHLY SELECTIVE ADENOSINE A3 RECEPTOR SUBTYPE AGONISTS FOR THE PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISORDERS NLN, HTRA2, TFAM ADORA3 4/4885ADORA2A 5/4885ADORA2B 20/4885
US-20150087613-A1 Inhibition of Opioid Antinociceptive Tolerance and Withdrawal in Nociceptive Pain Therapy OPRL1, OPRK1, OPRD1 ADORA3 5/4885ADORA2A 47/4885ADORA2B 29/4885
US-20220117985-A1 TREATMENT OF CHRONIC HEADACHES ADORA3, ADORA2B, ADORA2A ADORA3 1/4885ADORA2A 3/4885ADORA2B 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.

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