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SCHEMBL2902837

SCHEMBL2902837

CC(CNC(=N)N)CNS(=O)(=O)c1cccc2c(Cl)nccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.38
▸ CYP1A2 P05177 5/20 0.38
▸ CYP2C19 P33261 5/20 0.38
▸ CYP2D6 P10635 4/20 0.38
▸ CYP2C9 P11712 4/20 0.38
▸ FPR2 P25090 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ MYLK Q15746 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TP53 P04637 6/20 0.37
▸ THPO P40225 3/20 0.37
▸ PMP22 Q01453 3/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ NFKB1 P19838 2/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ SLC6A9 P48067 7/20 0.37
▸ MAPK1 P28482 4/20 0.36

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
SCHEMBL2910432 0.91 CYP3A4 (0.41) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL2910459 0.88 SLC6A9 (0.37) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL2910152 0.86 EDNRA (0.39) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL2909415 0.86 SLC6A9 (0.39) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL2911031 0.85 CYP3A4 (0.38) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL2901728 0.84 SLC6A9 (0.39) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL2908623 0.84 CYP3A4 (0.47) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL5128445 0.82 CYP3A4 (0.44) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL8670017 0.82 CYP3A4 (0.51) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL9833038 0.80 CYP3A4 (0.42) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9

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 3462/4885CYP1A2 2887/4885CYP2C19 2260/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA CYP3A4 4667/4885CYP1A2 3990/4885CYP2C19 3818/4885
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor ROCK1, RHOA, ARHGDIA CYP3A4 3462/4885CYP1A2 2887/4885CYP2C19 2260/4885

“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.