SCHEMBL622587

SCHEMBL622587

Nc1ncnc2c1ncn2[C@]1(Cc2ccccc2)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.49
ADORA2A P29274 4/20 0.49
GMPS P49915 1/20 0.49
PI4KA P42356 3/20 0.47
PI4K2B Q8TCG2 3/20 0.47
PI4K2A Q9BTU6 3/20 0.47
PI4KB Q9UBF8 3/20 0.47
SLC28A1 O00337 2/20 0.47
SLC28A2 O43868 2/20 0.47
DPP4 P27487 1/20 0.47
MEN1 O00255 1/20 0.47
MAP3K7 O43318 1/20 0.47
GAPDH P04406 1/20 0.47
MAPK1 P28482 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
STAT6 P42226 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DOT1L Q8TEK3 1/20 0.47

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
SCHEMBL932845 0.92 ADORA3 (0.49) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL13269151 0.91 ADORA2A (0.48) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL62485 0.91 ADORA3 (0.48) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL27765322 0.91 ADORA3 (0.48) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL13269063 0.90 ADORA3 (0.46) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL13269086 0.90 ADORA3 (0.48) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL1434125 0.90 ADORA3 (0.48) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL4541363 0.90 ADORA3 (0.48) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL13269127 0.90 ADORA3 (0.48) ADORA3ADORA2AGMPSPI4KAPI4K2B
SCHEMBL13834595 0.89 ADORA3 (0.46) ADORA3ADORA2AGMPSPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575973-B1 SUBSTITUTION DERIVATIVES OF N SP 6 SP -BENZYLADENOSINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2017-08-23 EP claimed
US-20150231167-A1 TREATMENT OF HEMATOLOGICAL NEOPLASMS THOMAS JEFFERSON UNIVERSITY 2015-08-20 US claimed
US-20150209379-A1 TREATMENT OF PROSTATE CANCER AND HEMATOLOGIC NEOPLASMS THOMAS JEFFERSON UNIVERSITY (US) 2015-07-30 US claimed
CN-102625653-B Methods for vegetative propagation of grass plants TREEFREE BIOMASS SOLUTIONS INC 2015-05-20 CN claimed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 US claimed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 EP claimed
US-20120196825-A1 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM SUPPORTIVE THERAPEUTICS AG (CH) 2012-08-02 US claimed
CN-102625653-A Methods for vegetative propagation of grass plants TREEFREE BIOMASS SOLUTIONS INC 2012-08-01 CN claimed
US-8119614-B2 Substitution derivatives of N6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2012-02-21 US claimed
CN-101602786-A N 6-substituted adenosines derivative, its method for making and pharmaceutical composition and purposes INST MATERIA MEDICA CAMS (CN) 2009-12-16 CN claimed
US-6677154-B2 PREPARTION OF GROWTH NUTRIENT FOR PLANTS; OBTAIN PLANT, REMOVE STEMS, PROPAGATE IN TISSUE CULTURE GIELIS JOHAN (BE) 2004-01-13 US claimed
US-20020169140-A1 Combination therapy for reduction of toxicity of chemotherapeutic agents HOLLIS-EDEN PHARMACEUTICALS, INC. 2002-11-14 US claimed
WO-2002069949-A2 COMBINATION THERAPY FOR REDUCTION OF TOXYCITY OF CHEMOTHERAPEUTIC AGENTS PRENDERGAST PATRICK T (IE) 2002-09-12 WO claimed
EP-0755255-A4 TREATMENT OF TOXOPLASMOSIS RES CORP TECHNOLOGIES INC (US) 2002-07-24 EP claimed
US-20020086425-A1 MICROPROPAGATION, SYNTHETIC SEEDS AND GERMPLASM STORAGE OF BAMBOOS GIELIS JOHAN (BE) 2002-07-04 US claimed
WO-2000053727-A1 MICROPROPAGATION, SYNTHETIC SEEDS AND GERMPLASM STORAGE OF BAMBOOS GIELIS JOHAN (BE) 2000-09-14 WO claimed
WO-1998036636-A2 METHOD FOR GENERATING EMBRYOGENIC CELL CULTURES FOR THE PRODUCTION OF BANANAS (MUSA SPP.) K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 1998-08-27 WO claimed
EP-0755255-A1 TREATMENT OF TOXOPLASMOSIS UNIVERSITY OF ALABAMA, BIRMINGHAM RESEARCH FOUNDATION (US) 1997-01-29 EP claimed
WO-1996018398-A1 TREATMENT OF TOXOPLASMOSIS THE UNIVERSITY OF ALABAMA AT BIRMINGHAM RESEARCH FOUNDATION (US) 1996-06-20 WO claimed
EP-0355825-A2 Viral treatment system Prendergast, Patrick T. (IE) 1990-02-28 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20150209379-A1 TREATMENT OF PROSTATE CANCER AND HEMATOLOGIC NEOPLASMS MTAP, DPYD, PNP ADORA3 56/4885ADORA2A 73/4885GMPS 35/4885
US-20150231167-A1 TREATMENT OF HEMATOLOGICAL NEOPLASMS ABL1, AMPD3, AMPD2 ADORA3 27/4885ADORA2A 11/4885GMPS 47/4885
US-20120196825-A1 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM MRE11, XPA, MPL ADORA3 389/4885ADORA2A 299/4885GMPS 88/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 1/4885GMPS 866/4885

“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.