SCHEMBL978424

SCHEMBL978424

Nc1ncnc2c1ncn2C1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 1.00
PI4KA P42356 4/20 1.00
PI4K2B Q8TCG2 4/20 1.00
PI4K2A Q9BTU6 4/20 1.00
PI4KB Q9UBF8 4/20 1.00
ADORA3 P0DMS8 3/20 1.00
ADORA1 P30542 3/20 1.00
ADORA2B P29275 2/20 0.94
NFKB1 P19838 2/20 0.79
BLM P54132 2/20 0.79
CYP1A2 P05177 1/20 0.79
CYP3A4 P08684 1/20 0.79
THPO P40225 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
TDP1 Q9NUW8 1/20 0.79
TP53 P04637 1/20 0.62
CYP2C9 P11712 1/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MEN1 O00255 1/20 0.62

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
SCHEMBL3245641 0.98 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL21435666 0.97 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28984637 0.93 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
Methyl Alcohol SCHEMBL10438261 0.92 ADORA2A (0.91) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL20536490 0.89 CYP1A2 (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL3712758 0.86 ADORA2A (0.79) ADORA2API4KAPI4K2BPI4K2API4KB
Hydrochloric Acid SCHEMBL15310347 0.84 ADORA2A (0.77) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL17546014 0.84 ADORA2A (0.72) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL9470633 0.81 ADORA2A (0.71) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL5188585 0.80 ADORA2A (0.75) ADORA2API4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-09-23 US claimed
EP-3833336-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DalCor Pharma UK Ltd Leatherhead, Zug Branch (CH) 2021-06-16 EP claimed
CN-112888432-A Methods for delaying the onset of new onset type 2 diabetes and for slowing the progression of type 2 diabetes and treating type 2 diabetes 英国达科(莱得海德)制药有限公司-楚歌分公司 2021-06-01 CN claimed
US-10898516-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN UNIVERSITY (US) 2021-01-26 US claimed
US-10568851-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-25 US claimed
EP-3609521-A1 TARGETING CELL TROPISM RECEPTORS TO INHIBIT CYTOMEGALOVIRUS INFECTION University of Massachusetts (US) 2020-02-19 EP claimed
WO-2020030814-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2020-02-13 WO claimed
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN UNIVERSITY 2019-08-22 US claimed
US-10272106-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN RESERVE UNIVERSITY (US) 2019-04-30 US claimed
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2019-03-07 US claimed
EP-3151818-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY Case Western Reserve University (US) 2017-04-12 EP claimed
WO-2015187942-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN RESERVE UNIVERSITY (US) 2015-12-10 WO claimed
US-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2014-08-21 US claimed
WO-2013063269-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-02 WO claimed
US-7700352-B2 Composition for culturing mouse pluripotent stem cells RIKEN (JP) 2010-04-20 US claimed
US-20090264383-A1 Inhibitor of Adenylyl Cyclase for Treating a Disorder of the Circadian Rhythm MEDICAL RESEARCH COUNCIL (GB) 2009-10-22 US claimed
EP-2023921-A1 INHIBITOR OF ADENYLYL CYCLASE FOR TREATING A DISORDER OF THE CIRCADIAN RHYTHM Medical Research Council (GB) 2009-02-18 EP claimed
WO-2007135387-A1 INHIBITOR OF ADENYLYL CYCLASE FOR TREATING A DISORDER OF THE CIRCADIAN RHYTHM MEDICAL RESEARCH COUNCIL (GB) 2007-11-29 WO claimed
US-20060127370-A1 Composition for culturing multipotent stem cells and utilization of the same RIKEN (JP) 2006-06-15 US claimed
EP-1557461-A1 COMPOSITION FOR CULTURING MULTIPOTENT STEM CELLS AND UTILIZATION OF THE SAME RIKEN (JP) 2005-07-27 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 (7 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-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TXNRD2, TXNRD1 ADORA2A 1522/4885PI4KA 1676/4885PI4K2B 1342/4885
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 ADORA2A 307/4885PI4KA 1708/4885PI4K2B 1647/4885
US-10272106-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 ADORA2A 307/4885PI4KA 1708/4885PI4K2B 1647/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 ADORA2A 1522/4885PI4KA 1676/4885PI4K2B 1342/4885
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 ADORA2A 605/4885PI4KA 3777/4885PI4K2B 3928/4885
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 ADORA2A 605/4885PI4KA 3777/4885PI4K2B 3928/4885
US-10898516-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 ADORA2A 307/4885PI4KA 1708/4885PI4K2B 1647/4885

“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.