SCHEMBL3085105

SCHEMBL3085105

O=COn1cnc2c(=O)[nH]c(=O)[nH]c21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.34
▸ GDA Q9Y2T3 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ PMP22 Q01453 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4957491 0.81 PNP (0.39) PNPALDH1A1GDAMEN1KMT2A
SCHEMBL27461265 0.78 PNP (0.38) PNPALDH1A1GDA
SCHEMBL28432887 0.76 PNP (0.38) PNPALDH1A1GDAMEN1KMT2A
SCHEMBL389888 0.76 PNP (0.46) PNPALDH1A1
SCHEMBL28303905 0.76 PNP (0.39) PNPALDH1A1GDAMEN1KMT2A
SCHEMBL2352519 0.74 PNP (0.43) PNPALDH1A1GDAMEN1KMT2A
SCHEMBL28746160 0.73 PNP (0.36) PNPALDH1A1GDAMEN1KMT2A
SCHEMBL8519587 0.72 PNP (0.36) PNPALDH1A1GDAMEN1KMT2A
SCHEMBL618978 0.72 PNP (0.44) PNPALDH1A1GDAMEN1KMT2A
SCHEMBL8356642 0.72 PNP (0.41) PNPALDH1A1GDAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180055868-A1 METHODS AND COMPOSITIONS FOR STIMULATING BONE REGENERATION NEW YORK UNIVERSITY (US) 2018-03-01 — — US disclosed
US-20160262894-A1 TISSUE REPAIR DEVICES AND SCAFFOLDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-09-15 — — US disclosed
WO-2015065819-A1 TISSUE REPAIR DEVICES AND SCAFFOLDS NEW YORK UNIVERSITY (US) 2015-05-07 — — WO disclosed
US-20150011496-A1 METHODS AND COMPOSITIONS FOR STIMULATING BONE REGENERATION NEW YORK UNIVERSITY 2015-01-08 — — US disclosed
WO-2013126545-A1 METHODS AND COMPOSITIONS FOR STIMULATING BONE REGENERATION NEW YORK UNIVERSITY (US) 2013-08-29 — — WO disclosed
US-7795427-B2 Methods for inhibiting osteoclast differentiation, formation, or function and for increasing bone mass NEW YORK UNIVERSITY (US) 2010-09-14 — — US disclosed
WO-2007095161-A2 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH INCREASED BONE TURNOVER AND OSTEOPENIA NEW YORK UNIVERSITY (US) 2007-08-23 — — WO disclosed
US-20070191279-A1 Methods and compositions for treating disorders associated with increased bone turnover and osteopenia CRONSTEIN BRUCE N 2007-08-16 — — US disclosed
CN-1251676-C Phenyl xanthine derivative GLAXO GROUP LTD (GB) 2006-04-19 — — CN disclosed
CN-1515571-A Phenyl xanthine derivative — 2004-07-28 — — CN disclosed
US-6545002-B1 Treating asthma, diarrhea, insulin resistance, diabetes, ischemia/reprefusion injuries, diabetic retinopathy or hyperbaric oxygen-induced retinopathy UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2003-04-08 — — US disclosed
EP-1192158-A2 SUBSTITUTED 8-PHENYLXANTHINES USEFUL AS ANTAGONISTS OF A 2B? ADENOSINE RECEPTORS University of Virginia Patent Foundation (US) 2002-04-03 — — EP disclosed
US-6365593-B2 USING CONCENTRATION OF URINE SAMPLING REPLIGEN CORPORATION 2002-04-02 — — US disclosed
US-20020019407-A1 Methylxanthines in the diagnosis and treatment of autistic disorder REPLIGEN CORPORATION 2002-02-14 — — US disclosed
CN-1323309-A Phenyl xanthine derivatives GLAXO GROUP LTD (GB) 2001-11-21 — — CN disclosed
WO-2001079837-A1 METHYLXANTHINES IN THE DIAGNOSIS AND TREATMENT OF AUTISTIC DISORDER REPLIGEN CORPORATION (US) 2001-10-25 — — WO disclosed
WO-2000073307-A2 SUBSTITUTED 8-PHENYLXANTHINES USEFUL AS ANTAGONISTS OF A2B ADENOSINE RECEPTORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-12-07 — — WO disclosed
US-5453426-A Sulfur-containing xanthine derivatives as adenosine antagonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-09-26 — — US disclosed
US-4968672-A DRUG DELIVERY; DIURETICS, KIDNEY DISORDERS, HYPOTENSIVE AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1990-11-06 — — US disclosed
WO-1990012797-A1 SULFER-CONTAINING XANTHINE DERIVATIVES AS ADENOSIN ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1990-11-01 — — WO disclosed
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