SCHEMBL8199372

SCHEMBL8199372

O=C(Nc1ccc2c(=O)[nH]cnc2c1)[C@H]1CCCN1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.52
ULK1 O75385 1/20 0.50
PSMB8 P28062 2/20 0.48
TEK Q02763 9/20 0.47
KDR P35968 6/20 0.47
EPHB4 P54760 5/20 0.47
EGFR P00533 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
KHK P50053 1/20 0.47
SCN3A Q9NY46 2/20 0.47
SCN9A Q15858 1/20 0.47
TERT O14746 1/20 0.45
IP6K1 Q92551 1/20 0.45

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
SCHEMBL8198438 1.00 ROCK2 (0.52) ROCK2ULK1PSMB8TEKKDR
SCHEMBL8203673 0.82 ROCK2 (0.55) ROCK2ULK1TEKKDREPHB4
SCHEMBL8206181 0.82 ULK1 (0.55) ROCK2ULK1TEKKDREPHB4
SCHEMBL13388756 0.74 SCN3A (0.64) ROCK2ULK1PSMB8KDRPDGFRB
SCHEMBL30159712 0.73 IP6K1 (0.78) ROCK2TEKKDREPHB4EGFR
SCHEMBL6092610 0.73 ULK1 (0.61) ULK1PSMB8KHKSCN3ASCN9A
SCHEMBL4008785 0.73 ROCK2 (0.60) ROCK2TEKKDREPHB4EGFR
SCHEMBL4002383 0.73 ROCK2 (0.57) ROCK2TEKKDREPHB4EGFR
SCHEMBL3343865 0.72 NPC1 (0.58) ULK1PSMB8SCN3ASCN9A
SCHEMBL3341031 0.72 NPC1 (0.58) ULK1PSMB8SCN3ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 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
US-8809326-B2 Isoquinolinone Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-8809326-B2 Isoquinolinone Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2014-08-19 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20160243102-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885ULK1 260/4885PSMB8 4035/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885ULK1 260/4885PSMB8 4035/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT ROCK2 2/4885ULK1 260/4885PSMB8 4035/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885ULK1 260/4885PSMB8 4035/4885
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 ROCK2 2/4885ULK1 1349/4885PSMB8 4331/4885

“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.