SCHEMBL6180804

SCHEMBL6180804

Cc1ccncc1C(=O)Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.66
SIRT3 Q9NTG7 1/20 0.66
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
TYK2 P29597 1/20 0.40
KDM4C Q9H3R0 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1967163 0.83 TDP1 (0.50) TDP1SIRT3ROCK2ROCK1TYK2
Hydrochloric Acid SCHEMBL7274725 0.82 TDP1 (0.48) TDP1SIRT3ROCK2ROCK1TYK2
SCHEMBL29571308 0.81 TDP1 (0.68) TDP1SIRT3KDM4CL3MBTL1KDM4E
SCHEMBL3100795 0.81 TDP1 (0.68) TDP1SIRT3ROCK2ROCK1TYK2
SCHEMBL258230 0.81 TDP1 (0.68) TDP1SIRT3KDM4CL3MBTL1KDM4E
SCHEMBL29496054 0.81 TDP1 (0.68) TDP1SIRT3ROCK2ROCK1TYK2
SCHEMBL2265522 0.80 KDM4C (0.47) TDP1SIRT3ROCK2ROCK1KDM4C
SCHEMBL1265706 0.79 SIRT3 (1.00) TDP1SIRT3KDM4CL3MBTL1KDM4E
SCHEMBL9504678 0.79 TDP1 (0.66) TDP1SIRT3KDM4CL3MBTL1KDM4E
SCHEMBL29682389 0.79 SIRT3 (1.00) TDP1SIRT3KDM4CL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149628-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF NICOTINAMIDE N-METHYL TRANSFERASE ASTRAZENECA AB (SE) 2025-07-17 WO disclosed
CN-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN disclosed
WO-2022063140-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2022-03-31 WO disclosed
EP-3719019-B1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-01-19 EP disclosed
EP-3719019-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-10-07 EP disclosed
EP-3004089-B1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2020-05-06 EP disclosed
CN-105308045-B New 3,4-dihydro-2H-isoquinoline-1-one and 2,3-dihydro-isoindol-1-one compounds 豪夫迈·罗氏有限公司 2017-05-17 CN disclosed
US-9505742-B2 3,4-dihydro-2H-isoquinoline-1-one and 2,3-dihydro-isoindol-1-one compounds HOFFMANN-LA ROCHE INC. (US) 2016-11-29 US disclosed
EP-3004089-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2016-04-13 EP disclosed
US-20160075686-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-03-17 US disclosed
US-20130196967-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-6914160-B1 Oxytocin inhibitors PFIZER INC (US) 2005-07-05 US disclosed
EP-1537085-A1 OXYTOCIN INHIBITORS Pfizer Limited (GB) 2005-06-08 EP disclosed
WO-2004020414-A1 OXYTOCIN INHIBITORS PFIZER LIMITED (GB) 2004-03-11 WO disclosed
US-6566373-B2 For therapy of osteoporosis, periodontitis, and arthritis SMITHKLINE BEECHAM CORPORATION 2003-05-20 US disclosed
EP-1003846-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-11-13 EP disclosed
US-20020013360-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-01-31 US disclosed
EP-1003846-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-05-31 EP disclosed
CN-1255161-A Protease inhibitors SMITHKINE BEECHAM CORP (US) 2000-05-31 CN disclosed
WO-1998050533-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 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 (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-20020013360-A1 Protease inhibitors CTSK, CTSV, CTSS TDP1 3507/4885SIRT3 1913/4885ROCK2 3245/4885
US-20130196967-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 TDP1 3848/4885SIRT3 2478/4885ROCK2 1934/4885
US-20160075686-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS DRD4, DRD3, QDPR TDP1 1541/4885SIRT3 264/4885ROCK2 614/4885

“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.