SCHEMBL8203673

SCHEMBL8203673

O=C(Nc1ccc2c(=O)[nH]cnc2c1)C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.55
TEK Q02763 10/20 0.53
EPHB4 P54760 6/20 0.53
KDR P35968 5/20 0.53
EGFR P00533 1/20 0.53
PDGFRB P09619 1/20 0.53
KIT P10721 1/20 0.53
FGFR1 P11362 1/20 0.53
FLT1 P17948 1/20 0.53
ULK1 O75385 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
HTR6 P50406 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CHEK1 O14757 1/20 0.45
PARP1 P09874 1/20 0.45
PIM1 P11309 1/20 0.45
RPS6KA3 P51812 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
SCHEMBL8206181 0.88 ULK1 (0.55) ROCK2TEKEPHB4KDREGFR
SCHEMBL29776580 0.84 ULK1 (0.57) ULK1ITGB3ITGA2BHTR6L3MBTL1
SCHEMBL8198438 0.82 ROCK2 (0.52) ROCK2TEKEPHB4KDREGFR
SCHEMBL8199372 0.82 ROCK2 (0.52) ROCK2TEKEPHB4KDREGFR
SCHEMBL8211741 0.80 ROCK2 (0.60) ROCK2
SCHEMBL25426989 0.77 L3MBTL1 (0.56) ULK1L3MBTL1ALDH1A1
SCHEMBL30508671 0.77 L3MBTL1 (0.56) ULK1L3MBTL1ALDH1A1
SCHEMBL4869511 0.77 IP6K1 (0.57) ROCK2TEKEPHB4KDREGFR
SCHEMBL4008785 0.75 ROCK2 (0.60) ROCK2TEKEPHB4KDREGFR
SCHEMBL14003483 0.74 ROCK2 (0.59) ROCK2TEKEPHB4KDREGFR

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 8 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-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 2/4885TEK 917/4885EPHB4 2486/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885TEK 917/4885EPHB4 2486/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT ROCK2 2/4885TEK 917/4885EPHB4 2486/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885TEK 917/4885EPHB4 2486/4885
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 2/4885TEK 173/4885EPHB4 1862/4885

“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.