SCHEMBL460148

SCHEMBL460148

c1cc2[nH]ncc2cc1N[C@@H]1CCCNC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
APAF1 O14727 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
BLM P54132 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ROCK2 O75116 19/20 0.56
ROCK1 Q13464 12/20 0.56
CCR2 P41597 6/20 0.54

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
SCHEMBL659992 1.00 KDM4E (0.58) KDM4EMEN1APAF1ALDH1A1MAPT
SCHEMBL460149 1.00 KDM4E (0.58) KDM4EMEN1APAF1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL659009 0.99 KDM4E (0.56) KDM4EMEN1APAF1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL530065 0.99 KDM4E (0.56) KDM4EMEN1APAF1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL530066 0.99 KDM4E (0.56) KDM4EMEN1APAF1ALDH1A1MAPT
SCHEMBL5641548 0.92 ROCK2 (0.56) KDM4EMEN1APAF1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL659638 0.91 ROCK2 (0.55) KDM4EMEN1APAF1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL659639 0.91 ROCK2 (0.55) KDM4EMEN1APAF1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL659821 0.91 ROCK2 (0.55) KDM4EMEN1APAF1ALDH1A1MAPT
SCHEMBL5823157 0.90 KDM4E (0.61) KDM4EMEN1APAF1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604218-B2 Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
US-8604205-B2 Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
CN-103254172-A Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS INC 2013-08-21 CN disclosed
CN-103249305-A Method for treating ophthalmic diseases using kinase inhibitor compounds in prodrug forms INSPIRE PHARMACEUTICALS INC 2013-08-14 CN disclosed
EP-2597953-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS Inspire Pharmaceuticals, Inc. (US) 2013-06-05 EP disclosed
EP-2595665-A1 BIFUNCTIONAL RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE Inspire Pharmaceuticals, Inc. (US) 2013-05-29 EP disclosed
US-20130131106-A1 BIFUNCTIONAL RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-20130131059-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS INSPIRE PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
CN-101583361-B Cytoskeletal Active RHO Kinase Inhibitor Compounds, Compositions and Uses INSPIRE PHARMACEUTICALS INC 2013-01-23 CN disclosed
US-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2013-01-10 US disclosed
US-20120046275-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2012-02-23 US disclosed
US-20120046275-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2012-02-23 US disclosed
WO-2012015760-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS INSPIRE PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed
WO-2012012282-A1 BIFUNCTIONAL RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-8071779-B2 reduces intraocular pressure; primary open-angle glaucoma; effective to influence the actomyosin interactions by leading to cellular relaxation and alterations in cell-substratum adhesions INSPIRE PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071779-B2 reduces intraocular pressure; primary open-angle glaucoma; effective to influence the actomyosin interactions by leading to cellular relaxation and alterations in cell-substratum adhesions INSPIRE PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
CN-101583361-A Cytoskeletal Active RHO Kinase Inhibitor Compounds, Compositions and Uses INSPIRE PHARMACEUTICALS INC (US) 2009-11-18 CN disclosed
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2008-09-04 US disclosed
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2008-09-04 US disclosed
WO-2008077057-A2 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2008-06-26 WO 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 (5 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-20130131059-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS ROCK1, ROCK2, CIT KDM4E 1878/4885MEN1 1440/4885APAF1 1366/4885
US-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 KDM4E 1941/4885MEN1 2852/4885APAF1 2291/4885
US-20120046275-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 KDM4E 1941/4885MEN1 2852/4885APAF1 2291/4885
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 KDM4E 1941/4885MEN1 2852/4885APAF1 2291/4885
US-20130131106-A1 BIFUNCTIONAL RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK2, ROCK1, RHOA KDM4E 2600/4885MEN1 1600/4885APAF1 2092/4885

“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.