SCHEMBL2903536

SCHEMBL2903536

N=C(N)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.61
ROCK1 Q13464 11/20 0.61
CCR2 P41597 2/20 0.61
PRKD3 O94806 2/20 0.61
PRKCG P05129 2/20 0.61
PRKCB P05771 2/20 0.61
CYP3A4 P08684 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
PRKCA P17252 2/20 0.61
PRKACA P17612 2/20 0.61
PRKACG P22612 2/20 0.61
PRKACB P22694 2/20 0.61
PRKCH P24723 2/20 0.61
PRKCI P41743 2/20 0.61
PRKCE Q02156 2/20 0.61
PRKCQ Q04759 2/20 0.61
PRKCZ Q05513 2/20 0.61
PRKCD Q05655 2/20 0.61
PRKD1 Q15139 2/20 0.61
MEN1 O00255 1/20 0.61

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
SCHEMBL7427827 0.96 PRKD3 (0.65) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL29770053 0.87 ROCK2 (0.77) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL4197244 0.85 ROCK2 (0.68) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL4189786 0.84 ROCK2 (0.73) ROCK2ROCK1CCR2PRKD3PRKCG
Hydrochloric Acid SCHEMBL4195810 0.84 ROCK2 (0.67) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL10988523 0.83 ROCK2 (0.79) ROCK2ROCK1CCR2PRKD3PRKCG
Hydrochloric Acid SCHEMBL4194494 0.83 ROCK2 (0.71) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL4192106 0.83 ROCK2 (0.62) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL4190167 0.83 ROCK2 (0.62) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL26555122 0.83 ROCK2 (0.67) ROCK2ROCK1CCR2PRKD3PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479386-A1 Use of isoquinoline-derivatives for treating and preventing pigmentary disorders Switch Biotech Aktiengesellschaft (DE) 2004-11-24 EP claimed
EP-0956865-B2 MEDICINES COMPRISING Rho KINASE INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2010-08-18 EP disclosed
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION 2009-02-05 US disclosed
WO-2008049000-A2 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION (US) 2008-04-24 WO disclosed
EP-0956865-B1 MEDICINES COMPRISING Rho KINASE INHIBITOR MITSUBISHI PHARMA CORP (JP) 2007-04-18 EP disclosed
US-6906061-B2 Pharmaceutical agent containing Rho kinase inhibitor MITSUBISHI PHARMA CORPORATION (JP) 2005-06-14 US disclosed
EP-1479386-A1 Use of isoquinoline-derivatives for treating and preventing pigmentary disorders Switch Biotech Aktiengesellschaft (DE) 2004-11-24 EP disclosed
WO-2004062666-A2 USE OF RHO-KINASE INHIBITORRS FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA UNIVERSITY COLLEGE LONDON (GB) 2004-07-29 WO disclosed
US-20030134775-A1 Pharmaceutical agent containing Rho kinase inhibitor UEHATA MASAYOSHI (JP) 2003-07-17 US disclosed
US-6451825-B1 FOR THERAPY OF HYPERTENSION, A THERAPEUTIC AGENT OF ANGINA PECTORIS, A SUPPRESSIVE AGENT OF CEREBROVASCULAR CONTRACTION, ASTHMA, PERIPHERAL CIRCULATION DISORDER, AS PROPHYLACTIC AGENT OF IMMATURE BIRTH, A THERAPEUTIC AGENT OF ARTERIOSCLEROSIS MITSUBISHI PHARMA CORPORATION (JP) 2002-09-17 US disclosed
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor MITSUBISHI PHARMA CORPORATION (JP) 2002-03-14 US disclosed
US-6218410-B1 ADMINISTERING A PHARMACEUTICALLY EFFECTIVE AMOUNT OF A RHO KINASE INHIBITOR COMPRISING AMIDE COMPOUND FOR INHIBITING RHO KINASE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-04-17 US disclosed
EP-0956865-A1 MEDICINES COMPRISING Rho KINASE INHIBITOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-11-17 EP disclosed
US-5747507-A MYOCARDIAL DISEASE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-05-05 US disclosed
EP-0654266-A1 CARDIAC PROTECTIVE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-05-24 EP disclosed
US-4709032-A VASODILATION AND HYPOTENSIVE AGENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-11-24 US disclosed
US-4634770-A VASODILATORS, HYPOTENSIVES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-01-06 US disclosed
EP-0109023-A1 Isoquinolinesulfonamide derivatives and process for the preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-05-23 EP 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-20030134775-A1 Pharmaceutical agent containing Rho kinase inhibitor ROCK1, RHOA, ARHGDIA ROCK2 4/4885ROCK1 1/4885CCR2 2054/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885CCR2 3293/4885
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor ROCK1, RHOA, ARHGDIA ROCK2 4/4885ROCK1 1/4885CCR2 2054/4885

“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.