SCHEMBL5507191

SCHEMBL5507191

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c(NC3CCCC3)ncnc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.69
TSHR P16473 3/20 0.69
ADORA2A P29274 3/20 0.69
PMP22 Q01453 2/20 0.69
ADORA2B P29275 2/20 0.69
ADORA1 P30542 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
GAA P10253 1/20 0.69
HTT P42858 1/20 0.69
SIGMAR1 Q99720 1/20 0.69
SLC29A1 Q99808 1/20 0.69
RXFP1 Q9HBX9 1/20 0.69
TP53 P04637 1/20 0.69
NFKB1 P19838 1/20 0.69
HIF1A Q16665 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
CYP2C19 P33261 1/20 0.68
THPO P40225 1/20 0.68

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
SCHEMBL12200089 1.00 ADORA3 (0.69) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL7735031 1.00 ADORA3 (0.69) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL15144301 1.00 ADORA3 (0.69) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL5508361 0.99 TSHR (0.70) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL4649323 0.96 PI4KA (0.68) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL7733889 0.93 PI4KA (0.64) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL5507625 0.93 ADORA3 (0.62) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL15144300 0.91 ADORA3 (0.60) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL5993960 0.91 ADORA3 (0.64) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL13337622 0.91 TSHR (0.69) ADORA3TSHRADORA2APMP22ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718853-B2 Anhydrous polymorphs of [(2R,3S,4R,5R)-5-(6-(cyclopentylamino)-9H-purin-9-YL)-3,4-dihydroxytetrahydrofuran-2-YL)] methyl nitrate and processes of preparation thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2017-08-01 US disclosed
US-20170049799-A1 OPHTHALMIC FORMULATIONS INOTEK PHARMACEUTICALS CORPORATION 2017-02-23 US disclosed
US-9522160-B2 Ophthalmic formulations INOTEK PHARMACEUTICALS CORPORATION (US) 2016-12-20 US disclosed
US-20160158268-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION 2016-06-09 US disclosed
US-20160137686-A1 ANHYDROUS POLYMORPHS OF [(2R,3S,4R,5R)-5-(6-(CYCLOPENTYLAMINO)-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)] METHYL NITRATE AND PROCESSES OF PREPARATION THEREOF INOTEK PHARMACEUTICALS CORPORATION 2016-05-19 US disclosed
US-9289383-B2 Method of reducing intraocular pressure in humans INOTEK PHARMACEUTICALS CORPORATION (US) 2016-03-22 US disclosed
US-9289383-B2 Method of reducing intraocular pressure in humans INOTEK PHARMACEUTICALS CORPORATION (US) 2016-03-22 US disclosed
US-9278991-B2 Anhydrous polymorphs of [(2R,3S,4R,5R)-5-(6-(cyclopentylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)} methyl nitrate and processes of preparation thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2016-03-08 US disclosed
US-20150080330-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION 2015-03-19 US disclosed
US-20150080330-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION 2015-03-19 US disclosed
US-20140018314-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS INOTEK PHARMACEUTICALS CORPORATION (US) 2014-01-16 US disclosed
US-20130196940-A1 ANHYDROUS POLYMORPHS OF [(2R,3S,4R,5R)-5-(6-(CYCLOPENTYLAMINO)-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)} METHYL NITRATE AND PROCESSES OF PREPARATION THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2013-08-01 US disclosed
US-8476247-B2 Method of reducing intraocular pressure in humans INOTEK PHARMACEUTICALS CORPORATION (US) 2013-07-02 US disclosed
EP-1537133-B1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS INC (US) 2007-07-25 EP disclosed
US-20060135467-A1 Partial and full agonists of A1 adenosine receptors ZABLOCKI JEFF 2006-06-22 US disclosed
US-7022681-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2006-04-04 US disclosed
US-20040043960-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2004-03-04 US disclosed
US-6407076-B1 ANTIISCHEMIC, ANTILIPOLYTIC, ANTICONVULSANT AND HYPOTENSIVE AGENTS; CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS; ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION 2002-06-18 US disclosed
EP-1027363-A2 ADENOSINE A1-RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-16 EP disclosed
WO-1999024450-A2 ADENSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 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 (8 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-20060135467-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 ADORA3 3/4885TSHR 184/4885ADORA2A 2/4885
US-20170049799-A1 OPHTHALMIC FORMULATIONS EYA3, EYA2, PDE6C ADORA3 228/4885TSHR 1458/4885ADORA2A 314/4885
US-20040043960-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 ADORA3 3/4885TSHR 169/4885ADORA2A 2/4885
US-20160137686-A1 ANHYDROUS POLYMORPHS OF [(2R,3S,4R,5R)-5-(6-(CYCLOPENTYLAMINO)-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)] METHYL NITRATE AND PROCESSES OF PREPARATION THEREOF NT5C3B, POR, QDPR ADORA3 56/4885TSHR 4556/4885ADORA2A 84/4885
US-20130196940-A1 ANHYDROUS POLYMORPHS OF [(2R,3S,4R,5R)-5-(6-(CYCLOPENTYLAMINO)-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)} METHYL NITRATE AND PROCESSES OF PREPARATION THEREOF NT5C3B, POR, QDPR ADORA3 61/4885TSHR 4534/4885ADORA2A 85/4885
US-20150080330-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE3A, PDE2A, PDE6C ADORA3 31/4885TSHR 4172/4885ADORA2A 25/4885
US-20140018314-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE3A, PDE2A, PDE6C ADORA3 31/4885TSHR 4172/4885ADORA2A 25/4885
US-20160158268-A1 METHOD OF REDUCING INTRAOCULAR PRESSURE IN HUMANS PDE3A, PDE2A, PDE6C ADORA3 31/4885TSHR 4172/4885ADORA2A 25/4885

“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.