SCHEMBL2902096

SCHEMBL2902096

CCC1CN(S(=O)(=O)c2cccc3c(Cl)nccc23)CCN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.49
▸ PRKCD Q05655 5/20 0.49
▸ NFKB1 P19838 4/20 0.49
▸ PRKCE Q02156 4/20 0.49
▸ PRKD1 Q15139 4/20 0.49
▸ CYP2D6 P10635 4/20 0.49
▸ PRKCQ Q04759 4/20 0.49
▸ PRKD3 O94806 3/20 0.49
▸ PRKCG P05129 3/20 0.49
▸ PRKCB P05771 3/20 0.49
▸ PRKCA P17252 3/20 0.49
▸ PRKCH P24723 3/20 0.49
▸ PRKCI P41743 3/20 0.49
▸ PRKCZ Q05513 3/20 0.49
▸ CHRM1 P11229 1/20 0.48
▸ ROCK1 Q13464 8/20 0.45
▸ ROCK2 O75116 7/20 0.45
▸ PRKX P51817 2/20 0.45
▸ CYP1A2 P05177 3/20 0.42
▸ MYLK Q15746 3/20 0.42

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
SCHEMBL2905423 0.89 CHRM1 (0.49) CYP3A4PRKCDNFKB1PRKCEPRKD1
SCHEMBL2907413 0.88 CYP3A4 (0.49) CYP3A4PRKCDNFKB1PRKCEPRKD1
SCHEMBL2905088 0.87 CYP3A4 (0.64) CYP3A4PRKCDNFKB1PRKCEPRKD1
SCHEMBL10988093 0.80 PRKD3 (0.77) CYP3A4PRKCDNFKB1PRKCEPRKD1
SCHEMBL2908180 0.80 ROCK2 (0.67) CYP3A4PRKCDNFKB1PRKCEPRKD1
SCHEMBL2936792 0.77 PRKCD (0.47) CYP3A4PRKCDNFKB1PRKCEPRKD1
SCHEMBL2908958 0.76 ROCK2 (0.75) CYP3A4PRKCDNFKB1PRKCEPRKD1
SCHEMBL7352432 0.76 CHRM1 (0.56) CYP3A4PRKCDNFKB1PRKCEPRKD1
SCHEMBL4730348 0.76 CHRM1 (0.53) CYP3A4PRKCDNFKB1PRKCEPRKD1
SCHEMBL4726186 0.76 CHRM1 (0.47) CYP3A4PRKCDNFKB1PRKCEPRKD1

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
EP-0187371-B1 SUBSTITUTED ISOQUINOLINESULFONYL COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-06-19 — — EP disclosed
US-4678783-A CARDIOVASCULAR DISORDERS, HYPOTENSIVES, ARTERIOSCLEROSIS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-07-07 — — US disclosed
EP-0187371-A2 Substituted isoquinolinesulfonyl compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-07-16 — — 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 CYP3A4 3462/4885PRKCD 486/4885NFKB1 1070/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA CYP3A4 4667/4885PRKCD 375/4885NFKB1 2603/4885
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor ROCK1, RHOA, ARHGDIA CYP3A4 3462/4885PRKCD 486/4885NFKB1 1070/4885

“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.

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