SCHEMBL935019

SCHEMBL935019

CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 1.00
▸ ADORA1 P30542 13/20 1.00
▸ ADORA2A P29274 10/20 1.00
▸ PPARG P37231 1/20 0.67
▸ PPARD Q03181 1/20 0.67

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
SCHEMBL6426666 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL18675357 0.89 ADORA3 (1.00) ADORA3ADORA1ADORA2A
SCHEMBL18675656 0.87 ADORA3 (0.96) ADORA3ADORA1ADORA2A
SCHEMBL18675351 0.87 ADORA3 (1.00) ADORA3ADORA1ADORA2A
SCHEMBL5365876 0.87 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14518673 0.87 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5363976 0.87 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5363985 0.87 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14543497 0.85 ADORA3 (0.73) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL18675356 0.84 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199127-B2 Purine nucleosides UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-04-03 — — US claimed
US-20050256143-A1 Purin-9-yl-tetrahydrothiophene-3,4-diols; anticarcinogenic agents selective to A3 adenosine receptors; breast cancer Government of the United States of America, repres ented by The Secretary, Department of Health and (US) 2005-11-17 — — US claimed
EP-1578758-A2 PURINE NUCLEOSIDES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-09-28 — — EP claimed
WO-2004038006-A2 PURINE NUCLEOSIDES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-05-06 — — WO claimed
US-9668959-B2 A3 adenosine receptor ligands for modulation of pigmentation ORADIN PHARMACEUTICAL LTD. (IL) 2017-06-06 — — US disclosed
EP-2456419-B1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD (IL) 2016-11-23 — — EP disclosed
US-20160136079-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD. (IL) 2016-05-19 — — US disclosed
US-9199102-B2 A3 adenosine receptor ligands for modulation of pigmentation ORADIN PHARMACEUTICAL LTD. (IL) 2015-12-01 — — US disclosed
WO-2012125400-A1 COMPOSITIONS AND METHODS USING ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY EYE DISEASES ACORN BIOMEDICAL, INC. (US) 2012-09-20 — — WO disclosed
US-20120134945-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD. (IL) 2012-05-31 — — US disclosed
EP-2456419-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION Oradin Pharmaceutical Ltd. (IL) 2012-05-30 — — EP disclosed
WO-2011010306-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-01-27 — — WO disclosed
US-7199127-B2 Purine nucleosides UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-04-03 — — US disclosed
US-20050256143-A1 Purin-9-yl-tetrahydrothiophene-3,4-diols; anticarcinogenic agents selective to A3 adenosine receptors; breast cancer Government of the United States of America, repres ented by The Secretary, Department of Health and (US) 2005-11-17 — — US disclosed
EP-1578758-A2 PURINE NUCLEOSIDES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-09-28 — — EP disclosed
WO-2004038006-A2 PURINE NUCLEOSIDES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-05-06 — — 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 (1 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-20050256143-A1 Purin-9-yl-tetrahydrothiophene-3,4-diols; anticarcinogenic agents selective to A3 adenosine receptors; breast cancer ADORA3, P2RX3, P2RY1 ADORA3 1/4885ADORA1 5/4885ADORA2A 6/4885

“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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