SCHEMBL2909369

SCHEMBL2909369

N=C(N)N1CCCN(S(=O)(=O)c2cccc3c(Cl)nccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.52
▸ ROCK2 O75116 3/20 0.48
▸ PRKX P51817 1/20 0.48
▸ PRKCE Q02156 1/20 0.48
▸ PRKCD Q05655 1/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ PRKD1 Q15139 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ COMT P21964 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MYLK Q15746 1/20 0.43
▸ LMNA P02545 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
SCHEMBL2910435 0.96 CHRM1 (0.55) CHRM1ROCK2PRKXPRKCEPRKCD
SCHEMBL2910377 0.88 ROCK2 (0.49) CHRM1ROCK2PRKXPRKCEPRKCD
SCHEMBL2909739 0.83 ROCK2 (0.47) CHRM1ROCK2PRKXPRKCEPRKCD
SCHEMBL2903536 0.80 ROCK2 (0.61) CHRM1ROCK2PRKXPRKCEPRKCD
SCHEMBL2909501 0.78 CHRM1 (0.49) CHRM1ROCK2PRKXPRKCEPRKCD
SCHEMBL2909997 0.78 POLB (0.63) CHRM1ROCK2PRKXPRKCEPRKCD
SCHEMBL7312944 0.77 CHRM1 (0.53) CHRM1ROCK2PRKXPRKCEPRKCD
SCHEMBL31399716 0.77 CHRM1 (0.54) CHRM1SMN1; SMN2LMNAKDM4ETSHR
SCHEMBL31399717 0.77 CHRM1 (0.54) CHRM1SMN1; SMN2LMNAKDM4ETSHR
SCHEMBL2908958 0.77 ROCK2 (0.75) CHRM1ROCK2PRKXPRKCEPRKCD

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 19 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-0187371-B1 SUBSTITUTED ISOQUINOLINESULFONYL COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-06-19 — — 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 CHRM1 471/4885ROCK2 4/4885PRKX 68/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA CHRM1 2029/4885ROCK2 2/4885PRKX 166/4885
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor ROCK1, RHOA, ARHGDIA CHRM1 471/4885ROCK2 4/4885PRKX 68/4885

“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.

Send feedback