SCHEMBL2801788

SCHEMBL2801788

c1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)cc1

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.88
ROCK1 Q13464 6/20 0.85
CCR2 P41597 3/20 0.85

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
SCHEMBL2801786 1.00 ROCK2 (0.88) ROCK2ROCK1CCR2
SCHEMBL4475773 0.95 ROCK2 (0.86) ROCK2ROCK1CCR2
SCHEMBL659829 0.94 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL2801887 0.94 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL4471726 0.93 ROCK2 (0.80) ROCK2ROCK1CCR2
SCHEMBL3185041 0.92 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL3185054 0.92 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL660606 0.92 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL4465235 0.91 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL3171351 0.91 ROCK2 (0.89) ROCK2ROCK1CCR2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167043-A1 Isoquinoline derivatives having kinasae inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-07-27 US claimed
CN-1694879-A Isoquinoline derivatives having kinasae inhibitory activity and drugs containing the same KIRIN BREWERY (JP) 2005-11-09 CN claimed
EP-1550660-A1 ISOQUINOLINE DERIVATIVES HAVING KINASAE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-07-06 EP claimed
US-20130172324-A1 METHOD FOR TREATING CARDIOVASCULAR DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2013-07-04 US disclosed
US-8299096-B2 Method for treating pulmonary diseases using rho kinase inhibitor compounds INSPIRE PHARMACEUTICALS, INC. (US) 2012-10-30 US disclosed
US-8207195-B2 Method for treating neurological and neuropathic diseases using rho kinase inhibitor compounds INSPIRE PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20100204210-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2010-08-12 US disclosed
US-20100204210-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2010-08-12 US disclosed
US-20100022517-A1 OPHTHALMIC FORMULATION OF RHO KINASE INHIBITOR COMPOUND INSPIRE PHARMACEUTICALS, INC. 2010-01-28 US disclosed
US-20100008968-A1 METHOD FOR TREATING CARDIOVASCULAR DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2010-01-14 US disclosed
US-20090325958-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090325959-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090325934-A1 METHOD FOR TREATING NEUROLOGICAL AND NEUROPATHIC DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-7615564-B2 Isoquinoline derivatives having kinasae inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-11-10 US disclosed
US-7615564-B2 Isoquinoline derivatives having kinasae inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-11-10 US disclosed
US-7615564-B2 Isoquinoline derivatives having kinasae inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-11-10 US disclosed
CN-100383140-C Isoquinoline derivatives having kinasae inhibitory activity and drugs containing the same KIRIN BREWERY (JP) 2008-04-23 CN disclosed
US-20060167043-A1 Isoquinoline derivatives having kinasae inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-07-27 US disclosed
CN-1694879-A Isoquinoline derivatives having kinasae inhibitory activity and drugs containing the same KIRIN BREWERY (JP) 2005-11-09 CN disclosed
EP-1550660-A1 ISOQUINOLINE DERIVATIVES HAVING KINASAE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-07-06 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 (8 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-20100008968-A1 METHOD FOR TREATING CARDIOVASCULAR DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885CCR2 1028/4885
US-20060167043-A1 Isoquinoline derivatives having kinasae inhibitory activity and drugs containing the same ROCK2, MAP4K5, TNK2 ROCK2 1/4885ROCK1 5/4885CCR2 2249/4885
US-20100022517-A1 OPHTHALMIC FORMULATION OF RHO KINASE INHIBITOR COMPOUND ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885CCR2 4070/4885
US-20130172324-A1 METHOD FOR TREATING CARDIOVASCULAR DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885CCR2 1028/4885
US-20090325958-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, RHOA, ROCK2 ROCK2 3/4885ROCK1 1/4885CCR2 902/4885
US-20090325934-A1 METHOD FOR TREATING NEUROLOGICAL AND NEUROPATHIC DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885CCR2 642/4885
US-20100204210-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, RHOA, SERPINB1 ROCK2 4/4885ROCK1 1/4885CCR2 785/4885
US-20090325959-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK2, ROCK1, CIT ROCK2 1/4885ROCK1 2/4885CCR2 659/4885

“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.