SCHEMBL537086

SCHEMBL537086

CCCn1c(=O)c2c(nc(C=Cc3ccc(OC)c(OC)c3)n2C)n(CCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 1.00
ADORA3 P0DMS8 2/20 1.00
ADORA2B P29275 2/20 1.00
HTR1A P08908 1/20 0.84
CYP2C9 P11712 1/20 0.84
MAOB P27338 1/20 0.84
PDE4A P27815 1/20 0.84
ADORA1 P30542 1/20 0.84
PDE4D Q08499 1/20 0.84

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
SCHEMBL7729482 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA2BHTR1ACYP2C9
SCHEMBL29758518 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA2BHTR1ACYP2C9
SCHEMBL537085 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA2BHTR1ACYP2C9
SCHEMBL14541714 0.96 ADORA2A (0.92) ADORA2AADORA3ADORA2BHTR1ACYP2C9
SCHEMBL12628562 0.95 ADORA2A (0.90) ADORA2AADORA3ADORA2BHTR1ACYP2C9
SCHEMBL19074749 0.93 ADORA2A (0.87) ADORA2AADORA3ADORA2BHTR1ACYP2C9
SCHEMBL7543907 0.92 ADORA2A (0.85) ADORA2AADORA3ADORA2BHTR1ACYP2C9
SCHEMBL7543903 0.92 ADORA2A (0.85) ADORA2AADORA3ADORA2BHTR1ACYP2C9
Istradefylline SCHEMBL5967914 0.92 ADORA2A (1.00) ADORA2AADORA3ADORA2BHTR1ACYP2C9
Istradefylline SCHEMBL633262 0.92 ADORA2A (1.00) ADORA2AADORA3ADORA2BHTR1ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9555037-B2 Method of using vasoconstrictive agents during energy-based tissue therapy COVIDIEN AG 2017-01-31 US claimed
US-20160151374-A1 METHOD OF USING VASOCONSTRICTIVE AGENTS DURING ENERGY-BASED TISSUE THERAPY SHERWOOD SERVICES AG (CH) 2016-06-02 US claimed
US-20150164903-A1 METHOD OF USING VASOCONSTRICTIVE AGENTS DURING ENERGY-BASED TISSUE THERAPY SHERWOOD SERVICES AG (CH) 2015-06-18 US claimed
US-7767686-B2 Method of using adenosine receptor blockers during tissue ablation COVIDIEN AG (CH) 2010-08-03 US claimed
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2010-07-15 US claimed
EP-2111231-A2 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NorthEastern University (US) 2009-10-28 EP claimed
WO-2008147482-A2 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2008-12-04 WO claimed
US-20070207979-A1 Method of using adenosine receptor blockers during tissue ablation SHERWOOD SERVICES AG 2007-09-06 US claimed
US-20070037833-A1 Compositions and methods for inhibiting neurodegeneration THE CHILDREN'S HOSPITAL OF PHILADELPHIA 2007-02-15 US claimed
US-6710051-B1 SUBSTANCES IS A XANTHINE AND IS ADMINISTERED IN A DOSAGE OF 7.5-750 MG 1-4 TIMES DAILY TO TREAT MYOPIA KLAUS TRIER APS (DK) 2004-03-23 US claimed
US-20040013609-A1 For identification of substances for treatment or prevention of insufficient longitudinal growth of eye(hypermetropia) or excessive longitudinal growth of eye(myopia); involves measurement of effect on retinal pigment epithelium TRIER KLAUS (DK) 2004-01-22 US claimed
US-5859019-A Methods for protecting against cardiac ischemia by administering adenosine A2a receptor antagonists TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-01-12 US claimed
WO-1998030900-A2 SCREENING METHOD FOR COMPOUNDS ACTIVE IN TREATING MYOPIA AND HYPERMETROPIA KLAUS TRIER APS (DK) 1998-07-16 WO claimed
WO-2023215702-A2 COMPOSITIONS FOR AND METHODS OF TREATMENT WITH MUTANT A1 ADENOSINE RECEPTOR PLASMID CDNAS WILSON CONSTANCE (US) 2023-11-09 WO disclosed
US-20230346883-A1 COMPOSITIONS FOR AND METHODS OF TREATMENT WITH MUTANT A1 ADENOSINE RECEPTOR PLASMID cDNAs ENDACEA, INC. (US) 2023-11-02 US disclosed
US-20230017597-A1 8-SUBSTITUTED STYRYL XANTHINE DERIVATIVES AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-01-19 US disclosed
EP-0628311-A1 ANTIDEPRESSANT KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-14 EP disclosed
EP-0607607-A1 Xanthine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-07-27 EP disclosed
EP-0565377-A1 Therapeutic agents for use in the treatment of parkinson's disease KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-10-13 EP disclosed
EP-0559893-A1 XANTHINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-15 EP 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 (6 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-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES HIF1AN, HIF1A, EGLN3 ADORA2A 6/4885ADORA3 38/4885ADORA2B 11/4885
US-20230017597-A1 8-SUBSTITUTED STYRYL XANTHINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA3 2/4885ADORA2B 3/4885
US-20070207979-A1 Method of using adenosine receptor blockers during tissue ablation ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA2B 2/4885
US-20040013609-A1 For identification of substances for treatment or prevention of insufficient longitudinal growth of eye(hypermetropia) or excessive longitudinal growth of eye(myopia); involves measurement of effect on retinal pigment epithelium RYR1, ATP2A2, ATP2A1 ADORA2A 414/4885ADORA3 473/4885ADORA2B 826/4885
US-20150164903-A1 METHOD OF USING VASOCONSTRICTIVE AGENTS DURING ENERGY-BASED TISSUE THERAPY PLAT, TEK, PLG ADORA2A 271/4885ADORA3 381/4885ADORA2B 339/4885
US-20160151374-A1 METHOD OF USING VASOCONSTRICTIVE AGENTS DURING ENERGY-BASED TISSUE THERAPY PLAT, TEK, PLG ADORA2A 271/4885ADORA3 381/4885ADORA2B 339/4885

“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.