SCHEMBL725689

SCHEMBL725689

Nc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
ADORA2A P29274 2/20 1.00
ADORA2B P29275 2/20 1.00
THPO P40225 1/20 1.00
MEN1 O00255 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
KMT2A Q03164 1/20 1.00
BLM P54132 1/20 1.00

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
SCHEMBL29387702 1.00 CYP1A2 (1.00) CYP1A2ADORA2AADORA2BTHPOMEN1
SCHEMBL725690 1.00 CYP1A2 (1.00) CYP1A2ADORA2AADORA2BTHPOMEN1
SCHEMBL29753859 1.00 CYP1A2 (1.00) CYP1A2ADORA2AADORA2BTHPOMEN1
SCHEMBL9022509 0.93 ADORA2A (0.86) CYP1A2ADORA2AADORA2BTHPOMEN1
SCHEMBL9022511 0.93 ADORA2A (0.86) CYP1A2ADORA2AADORA2BTHPOMEN1
SCHEMBL9021653 0.91 ADORA2A (0.82) CYP1A2ADORA2AADORA2BTHPOMEN1
SCHEMBL8838160 0.91 ADORA2A (0.82) CYP1A2ADORA2AADORA2BTHPOMEN1
SCHEMBL9021635 0.91 ADORA2A (0.82) CYP1A2ADORA2AADORA2BTHPOMEN1
SCHEMBL8838178 0.91 ADORA2A (0.82) CYP1A2ADORA2AADORA2BTHPOMEN1
SCHEMBL11846235 0.89 CYP1A2 (0.80) CYP1A2ADORA2AADORA2BTHPOMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119303086-A Pharmaceutical composition for treating autism 斯塔利克拉股份有限公司 2025-01-14 CN claimed
US-20240024243-A1 Fine Dry Particulate Adenosine Compositions and Topical Formulations Including the Same LABORATORY SKIN CARE, INC. 2024-01-25 US claimed
US-20230273228-A1 Diagnostic Method and Compounds for the Treatment of Infections Caused by a Pathogen SOLUTEX GC, S.L. (ES) 2023-08-31 US claimed
EP-4183392-A1 DIAGNOSTIC METHOD AND COMPOUNDS FOR THE TREATMENT OF INFECTIONS CAUSED BY A PATHOGEN Solutex GC, S. L. (ES) 2023-05-24 EP claimed
CN-109821019-A Pharmaceutical composition for treating autism 斯塔利克拉股份有限公司 2019-05-31 CN claimed
WO-2018091689-A1 SKELETAL MUSCLE HYPERTROPHY INDUCERS CYTOO (FR) 2018-05-24 WO claimed
EP-2204154-B1 Association of monosaccharides and adenosine and its cosmetic use ORÉAL L (FR) 2016-10-12 EP claimed
EP-2204154-A1 Association of monosaccharides and adenosine and its cosmetic use L'OREAL (FR) 2010-07-07 EP claimed
US-20100168049-A1 COMBINATION OF MONOSACCHARIDES AND ADENOSINE AND USE THEREOF L'OREAL (FR) 2010-07-01 US claimed
US-20090137662-A1 SYNERGY OF DOPAMINE D2 AND ADENOSINE A2 RECEPTORS ACTIVATES PKA SIGNALING VIA BETA/GAMMA DIMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-05-28 US claimed
US-6555545-B2 Adenosine, caffeine, and 8-styryl-1,3,7-alkyl xanthine derivatives as wound healing agents NEW YORK UNIVERSITY 2003-04-29 US claimed
EP-1272897-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER NEW YORK UNIVERSITY (US) 2003-01-08 EP claimed
WO-2001058241-A9 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER UNIV NEW YORK (US) 2002-10-17 WO claimed
US-20020002145-A1 Adenosine A2A receptor antagonists for treating and preventing hepatic fibrosis, cirrhosis and fatty liver NEW YORK UNIVERSITY 2002-01-03 US claimed
WO-2001058241-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER NEW YORK UNIVERSITY (US) 2001-08-16 WO claimed
EP-0983768-A1 MEDICINAL COMPOSITION FOR PREVENTION OR TREATMENT OF HEPATOPATHY Nippon Shinyaku Co., Ltd. (JP) 2000-03-08 EP claimed
US-6020321-A Adenosine receptor agonists for the promotion of wound healing NEW YORK UNIVERSITY (US) 2000-02-01 US claimed
US-5932558-A PROMOTE MIGRATION OF ENDOTHELIAL CELLS, FIBROBLASTS AND EPITHELIAL CELLS NEW YORK UNIVERSITY (US) 1999-08-03 US claimed
WO-1994023723-A1 ADENOSINE RECEPTOR AGONISTS FOR THE PROMOTION OF WOUND HEALING NEW YORK UNIVERSITY (US) 1994-10-27 WO claimed
US-5069895-A ADENOSINE AGONISTS AND ANTAGONISTS ERNEST GALLO CLINIC & RESEARCH CENTER 1991-12-03 US 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 (2 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-20020002145-A1 Adenosine A2A receptor antagonists for treating and preventing hepatic fibrosis, cirrhosis and fatty liver ADORA2A, ADORA1, ADORA2B CYP1A2 298/4885ADORA2A 1/4885ADORA2B 3/4885
US-20100168049-A1 COMBINATION OF MONOSACCHARIDES AND ADENOSINE AND USE THEREOF ADORA2A, ADORA1, ADORA3 CYP1A2 1537/4885ADORA2A 1/4885ADORA2B 4/4885

“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.