SCHEMBL17898484

SCHEMBL17898484

O=C1CN(Cc2ccccc2)S(=O)(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
MDM2 Q00987 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
ELANE P08246 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
CTRC Q99895 1/20 0.42
GSK3A P49840 3/20 0.40
GSK3B P49841 3/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL7450058 0.71 TDP1 (0.47) TDP1KMT2AMAPTMDM2CTDSP1
SCHEMBL1732657 0.70 PTPN1 (0.53) TDP1KMT2AMAPTMDM2CTDSP1
SCHEMBL14047589 0.69 TDP1 (0.54) TDP1KMT2AMAPTMDM2CTDSP1
SCHEMBL14177454 0.69 TDP1 (0.48) TDP1KMT2AMAPTMDM2CTDSP1
SCHEMBL2438031 0.69 SIGMAR1 (0.60) TDP1ALDH1A1LMNAF2PLG
SCHEMBL5948078 0.68 TDP1 (0.53) TDP1KMT2AMAPTMDM2CTDSP1
SCHEMBL5840963 0.68 TDP1 (0.45) TDP1KMT2AMAPTMDM2CTDSP1
SCHEMBL2212555 0.67 L3MBTL1 (0.51) TDP1KMT2AMAPTMDM2CTDSP1
SCHEMBL24473893 0.66 FUCA1 (0.41) TDP1KMT2AMAPTMDM2CTDSP1
SCHEMBL5075479 0.66 SIGMAR1 (0.56) TDP1KMT2AMAPTALDH1A1KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476668-B 6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazines and 6, 7-dihydro-4H-triazolo [1,5-a ] pyrazines for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2022-03-22 CN disclosed
US-10683299-B2 Pyrazolopyrazine and triazolopyrazine compounds for the treatment of infectious diseases HOFFMANN LA ROCHE INC. (US) 2020-06-16 US disclosed
US-10683299-B2 Pyrazolopyrazine and triazolopyrazine compounds for the treatment of infectious diseases HOFFMANN LA ROCHE INC. (US) 2020-06-16 US disclosed
EP-3484886-B1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE AND 6,7-DIHYDRO-4H-TRIAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
EP-3484886-B1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE AND 6,7-DIHYDRO-4H-TRIAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
US-20190248792-A1 NOVEL PYRAZOLOPYRAZINE AND TRIAZOLOPYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-15 US disclosed
US-20190248792-A1 NOVEL PYRAZOLOPYRAZINE AND TRIAZOLOPYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-15 US disclosed
CN-109476668-A For treating 6,7- dihydro -4H- pyrazolo [1,5-a] pyrazine and 6,7- dihydro -4H- triazol [1,5-a] pyrazine compound of infectious diseases 豪夫迈·罗氏有限公司 2019-03-15 CN disclosed
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
WO-2018011163-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE AND 6,7-DIHYDRO-4H-TRIAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2018-01-18 WO disclosed
US-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines THE SCRIPPS RESEARCH INSTITUTE 2016-07-07 US disclosed
US-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines THE SCRIPPS RESEARCH INSTITUTE 2016-07-07 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 (3 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-20190248792-A1 NOVEL PYRAZOLOPYRAZINE AND TRIAZOLOPYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES CYP3A5, RRP15, HAVCR2 TDP1 1931/4885KMT2A 3884/4885MAPT 3240/4885
US-10683299-B2 Pyrazolopyrazine and triazolopyrazine compounds for the treatment of infectious diseases CYP3A5, RRP15, QDPR TDP1 1474/4885KMT2A 3672/4885MAPT 3266/4885
US-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines PTMS, RSU1, QSOX1 TDP1 3452/4885KMT2A 3014/4885MAPT 4374/4885

“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.