SCHEMBL674400

SCHEMBL674400

CC(C)(c1ccccc1)[C@@]1(n2cnc3c(N)ncnc32)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.48
PI4KA P42356 2/20 0.45
PI4K2B Q8TCG2 2/20 0.45
PI4K2A Q9BTU6 2/20 0.45
PI4KB Q9UBF8 2/20 0.45
ADORA3 P0DMS8 4/20 0.45
ADORA2A P29274 3/20 0.45
SLC29A1 Q99808 2/20 0.44
DPP4 P27487 1/20 0.44
MEN1 O00255 1/20 0.44
SLC28A1 O00337 1/20 0.44
MAP3K7 O43318 1/20 0.44
SLC28A2 O43868 1/20 0.44
GAPDH P04406 1/20 0.44
MAPK1 P28482 1/20 0.44
ADORA2B P29275 1/20 0.44
STAT6 P42226 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DOT1L Q8TEK3 1/20 0.44

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
SCHEMBL6852710 0.92 ADORA1 (0.48) ADORA1PI4KAPI4K2BPI4K2API4KB
SCHEMBL3850327 0.91 ADORA2A (0.46) ADORA1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9705275 0.90 ADORA3 (0.46) ADORA1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1068569 0.85 ADORA1 (0.44) ADORA1PI4KAPI4K2BPI4K2API4KB
SCHEMBL10381790 0.84 ADORA1 (0.43) ADORA1PI4KAPI4K2BPI4K2API4KB
SCHEMBL7625720 0.84 ADORA3 (0.51) ADORA1PI4KAPI4K2BPI4K2API4KB
Phosphoric Acid SCHEMBL8631983 0.83 ADORA1 (0.45) ADORA1PI4KAPI4K2BPI4K2API4KB
SCHEMBL10708354 0.83 ADORA3 (0.48) ADORA1PI4KAPI4K2BPI4K2API4KB
SCHEMBL5859569 0.83 PI4KA (0.43) ADORA1PI4KAPI4K2BPI4K2API4KB
SCHEMBL5181193 0.82 ADORA3 (0.48) ADORA1PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024182811-A1 COMPOSITIONS AND METHODS FOR TREATING UTERINE LEIOMYOMAS UNIVERSITY OF SOUTH FLORIDA (US) 2024-09-06 WO claimed
US-20240024243-A1 Fine Dry Particulate Adenosine Compositions and Topical Formulations Including the Same LABORATORY SKIN CARE, INC. 2024-01-25 US claimed
EP-2204154-B1 Association of monosaccharides and adenosine and its cosmetic use ORÉAL L (FR) 2016-10-12 EP claimed
US-9320753-B2 Organ arrest, protection and preservation HIBERNATION THERAPEUTICS, A KF LLC (US) 2016-04-26 US claimed
US-20130224110-A1 USE OF ADENOSINE RECEPTOR SIGNALING TO MODULATE PERMEABILITY OF BLOOD-BRAIN BARRIER CORNELL UNIVERSITY (US) 2013-08-29 US claimed
EP-2616538-A1 USE OF ADENOSINE RECEPTOR SIGNALING TO MODULATE PERMEABILITY OF BLOOD-BRAIN BARRIER Cornell University (US) 2013-07-24 EP claimed
US-20130184231-A1 ORGAN ARREST, PROTECTION AND PRESERVATION HIBERNATION THERAPEUTICS LIMITED (AU) 2013-07-18 US claimed
WO-2012037457-A1 USE OF ADENOSINE RECEPTOR SIGNALING TO MODULATE PERMEABILITY OF BLOOD-BRAIN BARRIER CORNELL UNIVERSITY (US) 2012-03-22 WO claimed
US-20100298254-A1 ORGAN ARREST, PROTECTION AND PRESERVATION HIBERNATION THERAPEUTICS LIMITED (AU) 2010-11-25 US claimed
EP-2248523-A1 Compounds for use in the treatment of clinical conditions resulting from a deficit of endothelial progenitor cells Universität zu Köln (DE) 2010-11-10 EP claimed
EP-1168912-A4 ORGAN ARREST, PROTECTION AND PRESERVATION UNIV JAMES COOK (AU) 2002-07-31 EP claimed
US-20020058669-A1 PROCESS FOR THE TREATMENT OF ORGANOPHOSPHATE POISONING NEDERLANDSE ORGANISATIE VOR TOEGEPASTNATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2002-05-16 US claimed
EP-1168912-A1 ORGAN ARREST, PROTECTION AND PRESERVATION James Cook University (AU) 2002-01-09 EP claimed
EP-1087776-A1 A PROCESS FOR THE TREATMENT OF ORGANOPHOSPHATE POISONING NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2001-04-04 EP claimed
WO-2000056145-A1 ORGAN ARREST, PROTECTION AND PRESERVATION JAMES COOK UNIVERSITY (AU) 2000-09-28 WO claimed
US-6093417-A Composition to treat ear disorders ADVANCED MEDICAL INSTRUMENTS (US) 2000-07-25 US claimed
WO-1999065501-A1 A PROCESS FOR THE TREATMENT OF ORGANOPHOSPHATE POISONING NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 1999-12-23 WO claimed
EP-0689405-A4 METHODS FOR PROTECTING TISSUES AND ORGANS FROM ISCHEMIC DAMAGE GENSIA INC (US) 1996-09-11 EP claimed
EP-0689405-A1 METHODS FOR PROTECTING TISSUES AND ORGANS FROM ISCHEMIC DAMAGE GENSIA, INC. (US) 1996-01-03 EP claimed
WO-1994021195-A1 METHODS FOR PROTECTING TISSUES AND ORGANS FROM ISCHEMIC DAMAGE GENSIA, INC. (US) 1994-09-29 WO 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 (1 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-20020058669-A1 PROCESS FOR THE TREATMENT OF ORGANOPHOSPHATE POISONING ADORA3, ADORA1, ADORA2A ADORA1 2/4885PI4KA 1873/4885PI4K2B 2634/4885

“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.