SCHEMBL6877790

SCHEMBL6877790

Cn1cnc2c(N)nccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
ADORA2B P29275 1/20 0.49
AHCY P23526 9/20 0.47
EGLN1 Q9GZT9 1/20 0.44
ADA P00813 1/20 0.43
EZH2 Q15910 1/20 0.42
AHCYL1 O43865 1/20 0.41
CDK1 P06493 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL15730603 0.78 ALDH1A1 (0.54) KDM4EALDH1A1GLAGAATSHR
SCHEMBL4304214 0.78 AHCY (0.49) ADORA2AADORA1ADORA2BAHCYADA
SCHEMBL4214819 0.77 AHCY (0.56) ADORA2AADORA1ADORA2BAHCYADA
SCHEMBL30461799 0.76 KDM4E (0.53) KDM4EALDH1A1GLAGAATSHR
SCHEMBL17873913 0.76 ALDH1A1 (0.53) KDM4EALDH1A1GLAGAATSHR
SCHEMBL666503 0.76 KDM4E (0.53) KDM4EALDH1A1GLAGAATSHR
SCHEMBL16747750 0.76 ADA (0.56) ADORA2AADORA1ADORA2BAHCYADA
SCHEMBL21636974 0.76 PI4KA (0.53) ALDH1A1ADORA2AADORA1ADORA2BAHCY
SCHEMBL18526508 0.76 AHCY (0.59) ADORA2AADORA1ADORA2BAHCYADA
SCHEMBL24236874 0.74 AHCY (0.43) ADORA2AADORA1ADORA2BAHCYADA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240218027-A1 NUCLEOSIDE TRIPHOSPHATE TRANSPORTER AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2024-07-04 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
WO-2024077391-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2024-04-18 WO disclosed
US-11834479-B2 Nucleoside triphosphate transporter and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2023-12-05 US disclosed
US-11761007-B2 Production of unnatural nucleotides using a CRISPR/Cas9 system THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-19 US disclosed
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 US disclosed
US-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
US-20090291963-A1 SUBSTITUTED INDOLES SCHADT OLIVER 2009-11-26 US disclosed
US-20090291963-A1 SUBSTITUTED INDOLES SCHADT OLIVER 2009-11-26 US disclosed
WO-2009106419-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2009-09-03 WO disclosed
WO-2009098320-A2 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-08-13 WO disclosed
WO-2009099416-A1 HETEROCYCLIC PEPTIDE KETOAMIDES GEORGIA TECH RESEARCH CORPORATION (US) 2009-08-13 WO disclosed
US-7572796-B2 Substituted indoles MERCK PATENT GMBH (DE) 2009-08-11 US disclosed
US-7572796-B2 Substituted indoles MERCK PATENT GMBH (DE) 2009-08-11 US disclosed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 US disclosed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 US 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 (9 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-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF STING1, CGAS, TLR9 KDM4E 3466/4885ALDH1A1 4863/4885GLA 3595/4885
US-20090054459-A1 Substituted indoles TPH2, TPH1, HTR1A KDM4E 2189/4885ALDH1A1 1722/4885GLA 1825/4885
US-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A KDM4E 2277/4885ALDH1A1 1420/4885GLA 1592/4885
US-20240218027-A1 NUCLEOSIDE TRIPHOSPHATE TRANSPORTER AND USES THEREOF SLC35B2, SLC29A2, PNP KDM4E 4151/4885ALDH1A1 2777/4885GLA 2739/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS KDM4E 2695/4885ALDH1A1 1786/4885GLA 3156/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 KDM4E 4433/4885ALDH1A1 3239/4885GLA 943/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD KDM4E 2840/4885ALDH1A1 1619/4885GLA 2094/4885
US-11834479-B2 Nucleoside triphosphate transporter and uses thereof SLC35B2, SLC29A2, PNP KDM4E 4151/4885ALDH1A1 2777/4885GLA 2739/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 KDM4E 4005/4885ALDH1A1 4105/4885GLA 2485/4885

“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.