SCHEMBL4005801

SCHEMBL4005801

NC(=O)c1nc2c[c]ccc2c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.36
TOP2B Q02880 2/20 0.36
BRD4 O60885 1/20 0.36
MAPT P10636 6/20 0.36
QTRT1 Q9BXR0 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
PARP1 P09874 2/20 0.33
PARP2 Q9UGN5 1/20 0.33
BLM P54132 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
ALPI P09923 2/20 0.32

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
SCHEMBL4468892 0.80 CYP3A4 (0.37) MAPT
SCHEMBL941961 0.78 QTRT1 (0.59) TOP2ATOP2BBRD4MAPTQTRT1
SCHEMBL17977284 0.74 PARP1 (0.59) MAPTKDM4EALDH1A1LMNAPARP1
SCHEMBL4005073 0.74 KDM4E (0.37) TOP2ATOP2BBRD4MAPTMEN1
SCHEMBL4002866 0.71 MAP2K1 (0.35) KDM4EPARP1
SCHEMBL11576628 0.71 MAPT (0.58) TOP2ATOP2BBRD4MAPTQTRT1
SCHEMBL941387 0.70 TUBB4A (0.50) MAPTKDM4EPARP1TNKS2
SCHEMBL7164003 0.67 DYRK1A (0.60)
SCHEMBL3247997 0.66 HCAR2 (0.55) PARP1
SCHEMBL942032 0.66 KMT2A (0.53) MAPTMEN1KMT2ALMNAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 US claimed
US-20180344723-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2018-12-06 US claimed
EP-2068878-A2 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-06-17 EP claimed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US claimed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 US claimed
WO-2008036540-A2 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO claimed
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP claimed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 WO claimed
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
EP-2068878-B1 RHO KINASE INHIBITORS AERIE PHARMACEUTICALS INC (US) 2019-04-10 EP disclosed
US-20180344723-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2018-12-06 US disclosed
US-20160243102-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2016-08-25 US disclosed
US-20150297581-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2015-10-22 US disclosed
US-20140357652-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2014-12-04 US disclosed
EP-2068878-A2 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-06-17 EP disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 US disclosed
WO-2008036540-A2 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO disclosed
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP disclosed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 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 (7 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-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders CNKSR1, PRKCH, PRKAR2B TOP2A 2876/4885TOP2B 2706/4885BRD4 599/4885
US-20160243102-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT TOP2A 1861/4885TOP2B 2419/4885BRD4 1257/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT TOP2A 1861/4885TOP2B 2419/4885BRD4 1257/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT TOP2A 1861/4885TOP2B 2419/4885BRD4 1257/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT TOP2A 1861/4885TOP2B 2419/4885BRD4 1257/4885
US-20180344723-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT TOP2A 1861/4885TOP2B 2419/4885BRD4 1257/4885
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ROCK1, ROCK2, ARHGDIA TOP2A 1208/4885TOP2B 1831/4885BRD4 2064/4885

“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.