SCHEMBL133948

SCHEMBL133948

Nn1cnc2c(=O)[nH]c(=O)[nH]c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.41
ALDH1A1 P00352 4/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GDA Q9Y2T3 2/20 0.37
XDH P47989 3/20 0.33
BLM P54132 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
PABPC1 P11940 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
PMP22 Q01453 1/20 0.33

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
Hydrochloric Acid SCHEMBL7296125 0.98 PNP (0.40) PNPALDH1A1THRBL3MBTL1GDA
SCHEMBL17311159 0.81 ALDH1A1 (0.56) ALDH1A1THRBL3MBTL1HSD17B10CYP2C19
SCHEMBL2352519 0.80 PNP (0.43) PNPALDH1A1GDAXDHBLM
SCHEMBL13007561 0.77 PNP (0.41) PNPALDH1A1GDAXDHBLM
SCHEMBL4560085 0.77 GDA (0.53) PNPALDH1A1GDAXDHBLM
SCHEMBL2837687 0.77 PNP (0.41) PNPALDH1A1GDAXDHBLM
SCHEMBL618978 0.77 PNP (0.44) PNPALDH1A1GDAXDHBLM
SCHEMBL10998 0.77 GDA (0.53) PNPALDH1A1GDAXDHBLM
SCHEMBL28648090 0.77 PNP (0.44) PNPALDH1A1GDAXDHBLM
Hydrochloric Acid SCHEMBL28403441 0.76 PNP (0.43) PNPALDH1A1GDABLMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119817601-A Composite microbial agent and application thereof in improving saline-alkali stress resistance of crops 山东农大肥业科技股份有限公司 2025-04-15 CN claimed
US-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION 2023-09-14 US claimed
WO-2023039578-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION (US) 2023-03-16 WO claimed
EP-3900712-A1 GPCR HETEROMER INHIBITORS AND USES THEREOF GPCR Therapeutics, Inc. (KR) 2021-10-27 EP claimed
EP-3727371-A1 GPCR HETEROMER INHIBITORS AND USES THEREOF GPCR Therapeutics, Inc. (KR) 2020-10-28 EP claimed
US-20190209594-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2019-07-11 US claimed
EP-3452092-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-03-13 EP claimed
WO-2017191300-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-11-09 WO claimed
EP-2507241-A1 METHANOCARBA ADENOSINE DERIVATIVES AND DENDRIMER CONJUGATES THEREOF The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2012-10-10 EP claimed
US-20110189255-A1 DRUG-ELUTING STENTS FOR ADENOSINE RECEPTOR MODULATION PURDUE RESEARCH FOUNDATION 2011-08-04 US claimed
EP-0814810-A1 ADENOSINE AS A POSITIVE INOTROP IN THE COMPROMISED HEART UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1998-01-07 EP claimed
US-5629298-A INCREASING CONTRACTILE PERFORMANCE, ADENOSINE TRANSPORT INHIBITORS USED AS POTENTIATORS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-05-13 US claimed
EP-0755254-A1 PREVENTION AND TREATMENT OF ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED INJURY USING ADENOSINE AND PURINO RECEPTOR ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1997-01-29 EP claimed
WO-1996028163-A1 ADENOSINE AS A POSITIVE INOTROP IN THE COMPROMISED HEART UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-09-19 WO claimed
CN-1031641-C Process for preparing 8-substituted xanthine BEECHAM WUELFING GMBH & CO KG (DE) 1996-04-24 CN claimed
CN-1114880-A Novel treatment SMITHKLINE BEECHAM PLC (GB) 1996-01-17 CN claimed
US-5461059-A Antihistamine; treats allergies and asthma LABORATOIRE THERAMEX S.A. (FR) 1995-10-24 US claimed
WO-1995026728-A1 PREVENTION AND TREATMENT OF ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED INJURY USING ADENOSINE AND PURINO RECEPTOR ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-10-12 WO claimed
US-5366977-A Method of treating cystic fibrosis using 8-cyclopentyl-1,3-dipropylxanthine or xanthine amino congeners THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-11-22 US claimed
CN-1047502-A The preparation method of 8-substituted xanthine BEECHAM WUELFING GMBH & CO KG (DE) 1990-12-05 CN 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-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER TP53, CD4, MCL1 PNP 2571/4885ALDH1A1 649/4885THRB 3686/4885

“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.