SCHEMBL6969527

SCHEMBL6969527

Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@H]3C)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 1.00
ROCK1 Q13464 11/20 1.00
PRKACA P17612 5/20 1.00
PRKCD Q05655 5/20 1.00
PRKD3 O94806 4/20 1.00
PRKCZ Q05513 4/20 1.00
PRKACG P22612 4/20 1.00
PRKACB P22694 4/20 1.00
PKN2 Q16513 3/20 1.00
AURKB Q96GD4 3/20 1.00
PRKD2 Q9BZL6 3/20 1.00
PLK4 O00444 2/20 1.00
MARK3 P27448 2/20 1.00
PRKAA1 Q13131 2/20 1.00
MARK2 Q7KZI7 2/20 1.00
MAP4K4 O95819 2/20 1.00
CHEK2 O96017 2/20 1.00
AKT1 P31749 2/20 1.00
PRKX P51817 2/20 1.00
CDK5 Q00535 2/20 1.00

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
SCHEMBL29372951 1.00 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKCDPRKD3
SCHEMBL226317 1.00 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKCDPRKD3
SCHEMBL30069136 1.00 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKCDPRKD3
SCHEMBL29378010 1.00 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKCDPRKD3
SCHEMBL124161 1.00 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKCDPRKD3
SCHEMBL29677841 1.00 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKCDPRKD3
Hydrochloric Acid SCHEMBL2456059 0.99 ROCK2 (0.98) ROCK2ROCK1PRKACAPRKCDPRKD3
Hydrochloric Acid SCHEMBL507871 0.99 ROCK2 (0.98) ROCK2ROCK1PRKACAPRKCDPRKD3
Hydrochloric Acid SCHEMBL2461354 0.99 ROCK2 (0.98) ROCK2ROCK1PRKACAPRKCDPRKD3
Hydrochloric Acid SCHEMBL29781011 0.99 ROCK2 (0.98) ROCK2ROCK1PRKACAPRKCDPRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885888-B1 ISOQUINOLINE DERIVATIVES AND DRUGS HIDAKA HIROYOSHI DR (JP) 2003-08-13 EP claimed
US-20230201219-A1 METHODS OF TREATING AGITATION AND OTHER DEMENTIA-ASSOCIATED BEHAVIORAL SYMPTOMS WOOLSEY PHARMACEUTICALS, INC. 2023-06-29 US disclosed
US-20230172944-A1 ROCK INHIBITORS FOR USE IN TREATING OR PREVENTING PULMONARY EDEMA ATRIVA THERAPEUTICS GMBH (DE) 2023-06-08 US disclosed
EP-3293256-A1 AUTOMATED METHOD AND APPARATUS FOR EMBRYONIC STEM CELL CULTURE Cellular Dynamics International, Inc. (US) 2018-03-14 EP disclosed
US-9150829-B2 Culture of pluripotent and multipotent cells on microcarriers AGENCY FOR SCIENCE, TECHNOLOY AND RESEARCH (SG) 2015-10-06 US disclosed
EP-2401364-B1 DIFFERENTIATION OF PLURIPOTENT CELLS CELLULAR DYNAMICS INT INC (US) 2015-04-22 EP disclosed
US-8933071-B2 Dimethyl fasudil for inducing polyploidization of megakaryocytes and for treating blood and bone marrow diseases and disorders NORTHWESTERN UNIVERSITY (US) 2015-01-13 US disclosed
US-8933071-B2 Dimethyl fasudil for inducing polyploidization of megakaryocytes and for treating blood and bone marrow diseases and disorders NORTHWESTERN UNIVERSITY (US) 2015-01-13 US disclosed
US-8815585-B2 Automated method and apparatus for embryonic stem cell culture CELLULAR DYNAMICS INTERNATIONAL, INC. (US) 2014-08-26 US disclosed
US-8815585-B2 Automated method and apparatus for embryonic stem cell culture CELLULAR DYNAMICS INTERNATIONAL, INC. (US) 2014-08-26 US disclosed
US-20120009645-A1 CULTURE OF PLURIPOTENT AND MULTIPOTENT CELLS ON MICROCARRIERS AGENCY FOR SCIENCE, TECHNOLOGY, AND RESEARCH (SG) 2012-01-12 US disclosed
US-20100279403-A1 DIFFERENTIATION OF PLURIPOTENT CELLS CELLULAR DYNAMICS INTERNATIONAL, INC. (US) 2010-11-04 US disclosed
WO-2010099539-A1 DIFFERENTIATION OF PLURIPOTENT CELLS CELLULAR DYNAMICS INTERNATIONAL, INC. (US) 2010-09-02 WO disclosed
US-20100120750-A1 METHODS FOR INDUCING POLYPLOIDIZATION OF MEGAKARYOCYTES AND FOR TREATING BLOOD AND BONE MARROW DISEASES AND DISORDERS NORTHWESTERN UNIVERSITY (US) 2010-05-13 US disclosed
US-20100120750-A1 METHODS FOR INDUCING POLYPLOIDIZATION OF MEGAKARYOCYTES AND FOR TREATING BLOOD AND BONE MARROW DISEASES AND DISORDERS NORTHWESTERN UNIVERSITY (US) 2010-05-13 US disclosed
US-20090029462-A1 AUTOMATED METHOD AND APPARATUS FOR EMBRYONIC STEM CELL CULTURE CELLULAR DYNAMICS INTERNATIONAL, INC. 2009-01-29 US disclosed
US-20090029462-A1 AUTOMATED METHOD AND APPARATUS FOR EMBRYONIC STEM CELL CULTURE CELLULAR DYNAMICS INTERNATIONAL, INC. 2009-01-29 US disclosed
EP-0885888-B1 ISOQUINOLINE DERIVATIVES AND DRUGS HIDAKA HIROYOSHI DR (JP) 2003-08-13 EP disclosed
US-6153608-A Isoquinoline derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2000-11-28 US disclosed
EP-0885888-A1 ISOQUINOLINE DERIVATIVES AND DRUGS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1998-12-23 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-20230201219-A1 METHODS OF TREATING AGITATION AND OTHER DEMENTIA-ASSOCIATED BEHAVIORAL SYMPTOMS ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885PRKACA 936/4885
US-20230172944-A1 ROCK INHIBITORS FOR USE IN TREATING OR PREVENTING PULMONARY EDEMA ROCK1, ROCK2, NHERF1 ROCK2 2/4885ROCK1 1/4885PRKACA 405/4885
US-20100120750-A1 METHODS FOR INDUCING POLYPLOIDIZATION OF MEGAKARYOCYTES AND FOR TREATING BLOOD AND BONE MARROW DISEASES AND DISORDERS MPL, THPO, MCL1 ROCK2 785/4885ROCK1 1018/4885PRKACA 638/4885

“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.