SCHEMBL829613

SCHEMBL829613

Cn1c(=O)cc(Cl)c2cccnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.52
FEN1 P39748 1/20 0.50
GRM4 Q14833 2/20 0.45
ELANE P08246 1/20 0.43
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
ALOX15B O15296 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 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
SCHEMBL25703950 0.81 NQO2 (0.54) TNKSFEN1GRM4HPGDKMT2A
SCHEMBL21591678 0.80 FEN1 (0.50) TNKSFEN1GRM4ELANEHPGD
SCHEMBL5871967 0.80 FEN1 (0.54) TNKSFEN1GRM4MAPTHPGD
SCHEMBL8692208 0.80 TNKS (0.47) TNKSFEN1GRM4ELANEMAPT
SCHEMBL8693990 0.79 TNKS (0.49) TNKSFEN1GRM4MAPTHPGD
SCHEMBL8691823 0.79 TNKS (0.52) TNKSFEN1MAPTHPGDKMT2A
SCHEMBL21593928 0.78 FEN1 (0.48) TNKSFEN1GRM4HPGDKMT2A
SCHEMBL13923062 0.78 FEN1 (0.48) TNKSFEN1GRM4HPGDKMT2A
SCHEMBL830491 0.77 TNKS (0.47) TNKSFEN1MAPTHPGDKMT2A
SCHEMBL8692400 0.77 TNKS (0.50) TNKSFEN1MAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421240-B2 Hydropyrazino[1,2-d][1,4]diazepine compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2025-09-23 US disclosed
CN-113710672-B Hexahydro-1H-pyrazino [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2025-01-03 CN disclosed
CN-114728987-B 1, 8-Naphthyridin-2-one compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-08-02 CN disclosed
CN-114599652-B Hydropyrazino [1,2-d ] [1,4] diazepine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-07-12 CN disclosed
CN-117597342-A Pyrrolidine derivative, pharmaceutical composition and application thereof in medicine 成都百裕制药股份有限公司 2024-02-23 CN disclosed
EP-3953356-B1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-07-26 EP disclosed
EP-3953356-B1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-07-26 EP disclosed
US-20230041743-A1 1,8-NAPHTHYRIDIN-2-ONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-02-09 US disclosed
US-20230041743-A1 1,8-NAPHTHYRIDIN-2-ONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-02-09 US disclosed
US-20230034723-A1 HYDROPYRAZINO[1,2-D][1,4]DIAZEPINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-02-02 US disclosed
WO-2020207991-A1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-10-15 WO disclosed
US-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
US-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
US-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
EP-2061466-A2 4-THIO SUBSTITUTED QUINOLINE AND NAPHTHYRIDINE COMPOUNDS Xtl Biopharmaceuticals Ltd. (US) 2009-05-27 EP disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 US disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 US disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 US disclosed
WO-2008024423-A2 4-THIO SUBSTITUTED QUINOLINE AND NAPHTHYRIDINE COMPOUNDS XTL BIOPHARMACEUTICALS LTD. (US) 2008-02-28 WO disclosed
WO-2008024423-A2 4-THIO SUBSTITUTED QUINOLINE AND NAPHTHYRIDINE COMPOUNDS XTL BIOPHARMACEUTICALS LTD. (US) 2008-02-28 WO 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-12421240-B2 Hydropyrazino[1,2-d][1,4]diazepine compounds for the treatment of autoimmune disease HRH3, HRH4, HRH2 TNKS 3008/4885FEN1 4262/4885GRM4 779/4885
US-20230041743-A1 1,8-NAPHTHYRIDIN-2-ONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, NFATC1, NAT1 TNKS 983/4885FEN1 2202/4885GRM4 4529/4885
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds GTF3C4, HNF4A, TENT4A TNKS 511/4885FEN1 2320/4885GRM4 2609/4885
US-20230034723-A1 HYDROPYRAZINO[1,2-D][1,4]DIAZEPINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HRH3, HRH4, HRH2 TNKS 3008/4885FEN1 4262/4885GRM4 779/4885

“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.