SCHEMBL3486436

SCHEMBL3486436

CCCCC#Cc1nc(N)c2c(n1)N([C@@H]1O[C@H](CO)C(O)C1O)CN2NC(=O)CC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.51
ADORA3 P0DMS8 8/20 0.51
ADORA2B P29275 7/20 0.51
ADORA1 P30542 5/20 0.51
HTR2A P28223 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL5706777 0.90 ADORA2A (0.42) ADORA2AADORA3ADORA2BADORA1CYP2C9
SCHEMBL258936 0.82 LMNA (0.36) ADORA2AADORA3ADORA1
SCHEMBL177666 0.78 HSPA8 (0.44) ADORA2AADORA3ADORA2BADORA1CYP1A2
SCHEMBL2295173 0.74 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1
SCHEMBL726188 0.72 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1CYP1A2
SCHEMBL1081739 0.72 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1CYP2D6
SCHEMBL940191 0.72 ADORA2A (0.46) ADORA2AADORA3ADORA2B
Hydrochloric Acid SCHEMBL6754870 0.72 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1CYP2D6
SCHEMBL7744270 0.72 MAPK1 (0.40) CYP1A2MAPK1
Hydrochloric Acid SCHEMBL2031973 0.71 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498297-B1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM STALICLA S A (CH) 2023-06-21 EP claimed
US-20210154177-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM Stalicla S.A. (CH) 2021-05-27 US claimed
US-20210145803-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM Stalicla S.A. (CH) 2021-05-20 US claimed
EP-3498297-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM Stalicla S.A. (CH) 2019-06-19 EP claimed
US-20190134011-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM Stalicla S.A. (CH) 2019-05-09 US claimed
US-20060205671-A1 Compositions and methods for use of a protease inhibitor and adenosine for preventing organ ischemia and reperfusion injury EMORY UNIVERSITY 2006-09-14 US claimed
EP-3498297-B1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM STALICLA S A (CH) 2023-06-21 EP disclosed
US-11439627-B2 Pharmaceutical composition for the treatment of autism Stalicla S.A. (CH) 2022-09-13 US disclosed
EP-3984555-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM Stalicla S.A. (CH) 2022-04-20 EP disclosed
EP-3785733-B1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM STALICLA S A (CH) 2022-01-05 EP disclosed
US-20210154177-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM Stalicla S.A. (CH) 2021-05-27 US disclosed
US-20210145803-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM Stalicla S.A. (CH) 2021-05-20 US disclosed
US-10940140-B2 Pharmaceutical composition for the treatment of autism Stalicla S.A. (CH) 2021-03-09 US disclosed
WO-2015041809-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-26 WO disclosed
US-20100272711-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CARDIOVASCULAR DISEASES THOMAS JEFFERSON UNIVERSITY (US) 2010-10-28 US disclosed
US-20100047798-A1 ADENOSINE A1 AND A3 RECEPTOR GENE SEQUENCE VARIATIONS FOR PREDICTING DISEASE OUTCOME AND TREATMENT OUTCOME THOMAS JEFFERSON UNIVERSITY (US) 2010-02-25 US disclosed
US-20060205671-A1 Compositions and methods for use of a protease inhibitor and adenosine for preventing organ ischemia and reperfusion injury EMORY UNIVERSITY 2006-09-14 US disclosed
US-6566371-B2 Intraperitoneal administration of adenosine for the treatment of prevention of gastrointestinal of systemic diseases UNIVERSITY OF PITTSBURGH 2003-05-20 US disclosed
US-20020013290-A1 Intraperitoneal administration of adenosine for the treatment or prevention of gastrointestinal or systemic diseases PITTSBURGH, UNIVERSITY OF 2002-01-31 US disclosed
WO-2001082934-A1 INTRAPERITONEAL ADMINISTRATION OF ADENOSINE FOR THE TREATMENT OR PREVENTION OF GASTROINTESTINAL OR SYSTEMIC DISEASES UNIVERSITY OF PITTSBURGH (US) 2001-11-08 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-20100047798-A1 ADENOSINE A1 AND A3 RECEPTOR GENE SEQUENCE VARIATIONS FOR PREDICTING DISEASE OUTCOME AND TREATMENT OUTCOME ADORA3, ADORA1, ADORA2A ADORA2A 3/4885ADORA3 1/4885ADORA2B 4/4885
US-20100272711-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CARDIOVASCULAR DISEASES ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885ADORA3 4/4885ADORA2B 3/4885

“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.