SCHEMBL833645

SCHEMBL833645

Oc1nc(S)c2[nH]cnc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.41
PDPK1 O15530 1/20 0.41
CDK2 P24941 1/20 0.39
DPP4 P27487 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PNP P00491 1/20 0.38
XDH P47989 2/20 0.36
MAP3K5 Q99683 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
BRAF P15056 2/20 0.35
PI4KA P42356 2/20 0.34
PI4K2B Q8TCG2 2/20 0.34
PI4K2A Q9BTU6 2/20 0.34
PI4KB Q9UBF8 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL9154126 0.90 GDA (0.35) GDAPDPK1CDK2DPP4ALDH1A1
SCHEMBL1275417 0.83 PDPK1 (0.44) GDAPDPK1CDK2DPP4ALDH1A1
Xanthine SCHEMBL4966 0.79 GDA (0.44) GDAPDPK1CDK2DPP4ALDH1A1
Xanthine SCHEMBL9443819 0.79 GDA (0.44) GDAPDPK1CDK2DPP4ALDH1A1
Xanthine SCHEMBL7044234 0.78 GDA (0.42) GDAPDPK1CDK2DPP4ALDH1A1
SCHEMBL16146331 0.76 DPP4 (0.61) GDAPDPK1CDK2DPP4ALDH1A1
SCHEMBL9465644 0.76 GDA (0.41) GDAPDPK1CDK2DPP4ALDH1A1
Isoguanine SCHEMBL29569323 0.76 PDPK1 (0.66) GDAPDPK1CDK2DPP4PNP
SCHEMBL1724116 0.76 GDA (0.41) GDAPDPK1CDK2DPP4ALDH1A1
Isoguanine SCHEMBL887741 0.76 PDPK1 (0.66) GDAPDPK1CDK2DPP4PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114699419-A Use of a PLpro protein inhibitor in a medicament for the treatment or prevention of a novel coronavirus infection 北京大学深圳研究生院 2022-07-05 CN claimed
CN-112022855-A Use of a PLpro protein inhibitor in a medicament for the treatment or prevention of a novel coronavirus infection 北京大学深圳研究生院 2020-12-04 CN claimed
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 CN claimed
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2014-10-09 US claimed
US-6369208-B1 INFLUENZA ENDONUCLEASE APATAMER THAT INHIBITS INFLUENZA ENDONUCLEASE AND IS RESISTANT TO CLEAVAGE BY SAID ENZYME MERCK & CO., INC. 2002-04-09 US claimed
JP-3257675-B2 2002-02-18 JP claimed
US-5817635-A RNA MOLECULES WITH CATALYTIC ACTIVITY MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 1998-10-06 US claimed
EP-0552178-B1 MODIFIED RIBOZYMES MAX PLANCK GESELLSCHAFT (DE) 1997-01-02 EP claimed
EP-0552178-A1 MODIFIED RIBOZYMES. MAX PLANCK GESELLSCHAFT (DE) 1993-07-28 EP claimed
WO-1992007065-A1 MODIFIED RIBOZYMES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1992-04-30 WO claimed
US-20260056202-A1 USE OF MODIFIED PHAGE FOR CAPTURING AND SUBTYPING OF CANCER CELLS UNIV HONG KONG CHINESE (CN) 2026-02-26 US disclosed
US-12553054-B2 Compositions and methods related to nucleic acid anticoagulants NORTH CAROLINA STATE UNIVERSITY (US) 2026-02-17 US disclosed
US-20260009038-A1 COMPOSITIONS AND METHODS RELATED TO NUCLEIC ACID SENSORS UNIV ARIZONA STATE (US) 2026-01-08 US disclosed
EP-4605550-A2 COMPOSITIONS AND METHODS RELATED TO NUCLEIC ACID SENSORS Arizona Board of Regents on behalf of Arizona State University (US) 2025-08-27 EP disclosed
US-20250188517-A1 COMPOSITIONS AND METHODS RELATED TO NUCLEIC ACID SENSORS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2025-06-12 US disclosed
WO-1992007065-A1 MODIFIED RIBOZYMES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1992-04-30 WO disclosed
US-5021574-A Cardiotonic agents, antiarrhythmia agents ORTHO PHARMACEUTICAL CORPORATION (US) 1991-06-04 US disclosed
US-4294920-A PEPTIZATION, PROTECTIVE COLLOIDS AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1981-10-13 US disclosed
EP-0005200-B1 SILVER HALIDE PHOTOGRAPHIC MATERIAL AND METHOD OF PREPARATION Agfa-Gevaert AG (DE) 1981-04-15 EP disclosed
EP-0005200-A2 Silver halide photographic material and method of preparation Agfa-Gevaert AG (DE) 1979-11-14 EP disclosed

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-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) PRKAG2, PRKAB2, PRKAG1 GDA 1170/4885PDPK1 281/4885CDK2 1757/4885
US-20260009038-A1 COMPOSITIONS AND METHODS RELATED TO NUCLEIC ACID SENSORS ADAR, ADA, YARS1 GDA 4/4885PDPK1 3536/4885CDK2 3742/4885
US-12553054-B2 Compositions and methods related to nucleic acid anticoagulants NSUN2, NSUN3, ADAR GDA 2549/4885PDPK1 3573/4885CDK2 2524/4885
US-20260056202-A1 USE OF MODIFIED PHAGE FOR CAPTURING AND SUBTYPING OF CANCER CELLS DNMT3A, SELPLG, TP53 GDA 1621/4885PDPK1 3898/4885CDK2 1470/4885

“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.