SCHEMBL1716461

SCHEMBL1716461

COc1cc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc(OC)c1

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.89
ROCK1 Q13464 8/20 0.89
CCR2 P41597 7/20 0.76

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
SCHEMBL1716454 0.94 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL1716648 0.94 ROCK2 (0.79) ROCK2ROCK1CCR2
SCHEMBL2804672 0.92 ROCK2 (0.89) ROCK2ROCK1CCR2
SCHEMBL1716471 0.92 ROCK2 (0.89) ROCK2ROCK1CCR2
SCHEMBL2801663 0.87 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL661178 0.87 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL661179 0.87 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL1716567 0.86 ROCK2 (0.79) ROCK2ROCK1CCR2
SCHEMBL1716653 0.85 ROCK2 (0.77) ROCK2ROCK1CCR2
SCHEMBL1715804 0.85 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1378247-B1 VISUAL FUNCTION DISORDER IMPROVING AGENTS SENJU PHARMA CO (JP) 2016-08-24 EP disclosed
EP-2046339-B1 RHO/ROCK/P13/AKT KINASE INHIBITORS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH PROTOZOAN PARASITES UNIV PARIS CURIE (FR) 2013-11-06 EP disclosed
EP-1256574-B1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KYOWA HAKKO KIRIN CO LTD (JP) 2012-01-18 EP disclosed
US-7696194-B2 treating with fasudil hydrochloride; enzyme inhibitor of Rho kinase; promoting regeneration of an optic nerve cell SENJU PHARMACEUTICAL CO., LTD. (JP) 2010-04-13 US disclosed
US-20090203678-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PROTOZOAN PARASITIC DISEASES UNIVERSITE PIERRE ET MARIE CURIE-PARIS VI (FR) 2009-08-13 US disclosed
US-20090203678-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PROTOZOAN PARASITIC DISEASES UNIVERSITE PIERRE ET MARIE CURIE-PARIS VI (FR) 2009-08-13 US disclosed
WO-2008015001-A1 RHO/ROCK/P13/AKT KINASE INHIBITORS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH PROTOZOAN PARASITES UNIVERSITE PIERRE ET MARIE CURIE-PARIS VI (FR) 2008-02-07 WO disclosed
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
US-7109208-B2 Visual function disorder improving agents SENJU PHARMACEUTICAL CO., LTD. (JP) 2006-09-19 US disclosed
US-20060148852-A1 Visual function disorder improving agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-07-06 US disclosed
US-20040106646-A1 Visual function disorder improving agents SENJU PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2004-05-27 US disclosed
EP-1378247-A1 VISUAL FUNCTION IMPROVING AGENTS Senju Pharmaceutical Co., Ltd. (JP) 2004-01-07 EP disclosed
EP-1256574-A1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-13 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 (4 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-20040106646-A1 Visual function disorder improving agents ARHGDIA, GAP43, RHOT2 ROCK2 41/4885ROCK1 25/4885CCR2 4252/4885
US-20060148852-A1 Visual function disorder improving agents GAP43, ARHGDIA, RHOT2 ROCK2 56/4885ROCK1 33/4885CCR2 4452/4885
US-20090203678-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PROTOZOAN PARASITIC DISEASES RHOA, ROCK1, ROCK2 ROCK2 3/4885ROCK1 2/4885CCR2 3739/4885
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same TNK2, ROCK1, ROCK2 ROCK2 3/4885ROCK1 2/4885CCR2 3344/4885

“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.