Sugi Predict

Sugi Predict / Compounds / SCHEMBL876758

SCHEMBL876758

SCHEMBL876758

CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(OCCN4CC[C@H](N(C)C)C4)c(OC)cc3n2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 13/20 0.74
▸ ROCK1 Q13464 5/20 0.66
▸ AURKB Q96GD4 3/20 0.66
▸ PRKD3 O94806 2/20 0.66
▸ CSNK2A1 P68400 2/20 0.66
▸ STK3 Q13188 2/20 0.66
▸ CLK4 Q9HAZ1 2/20 0.66
▸ STK17A Q9UEE5 2/20 0.66
▸ PLK4 O00444 1/20 0.66
▸ CHEK2 O96017 1/20 0.66
▸ PRKCG P05129 1/20 0.66
▸ PHKG2 P15735 1/20 0.66
▸ CDK2 P24941 1/20 0.66
▸ AKT1 P31749 1/20 0.66
▸ AKT2 P31751 1/20 0.66
▸ MAP2K2 P36507 1/20 0.66
▸ PRKCI P41743 1/20 0.66
▸ MAPKAPK2 P49137 1/20 0.66
▸ PRKCQ Q04759 1/20 0.66
▸ ACVR1 Q04771 1/20 0.66

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
SCHEMBL876759 1.00 ROCK2 (0.74) ROCK2ROCK1AURKBPRKD3CSNK2A1
Hydrochloric Acid SCHEMBL877129 0.99 ROCK2 (0.73) ROCK2ROCK1AURKBPRKD3CSNK2A1
Hydrochloric Acid SCHEMBL877130 0.99 ROCK2 (0.73) ROCK2ROCK1AURKBPRKD3CSNK2A1
SCHEMBL877349 0.90 ROCK2 (0.84) ROCK2ROCK1AURKBPRKD3CSNK2A1
Hydrochloric Acid SCHEMBL877107 0.89 ROCK2 (0.83) ROCK2ROCK1AURKBPRKD3CSNK2A1
SCHEMBL19969515 0.86 ROCK2 (0.78) ROCK2ROCK1AURKBPRKD3CSNK2A1
SCHEMBL877329 0.86 ROCK2 (0.80) ROCK2ROCK1AURKBPRKD3CSNK2A1
SCHEMBL1728455 0.85 ROCK2 (0.76) ROCK2ROCK1AURKBPRKD3CSNK2A1
SCHEMBL877070 0.85 ROCK2 (0.76) ROCK2ROCK1AURKBPRKD3CSNK2A1
SCHEMBL877371 0.85 ROCK2 (1.00) ROCK2ROCK1AURKBPRKD3CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202793-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2012-08-09 — — US claimed
EP-2406236-A1 RHO KINASE INHIBITORS Surface Logix, Inc. (US) 2012-01-18 — — EP claimed
WO-2010104851-A1 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2010-09-16 — — WO claimed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 — — WO claimed
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX LLC (US) 2021-01-21 — — US disclosed
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX LLC (US) 2021-01-21 — — US disclosed
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 — — US disclosed
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 — — US disclosed
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. 2019-06-13 — — US disclosed
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. 2019-06-13 — — US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 — — US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 — — US disclosed
WO-2010104851-A1 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2010-09-16 — — WO disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 — — US disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 — — US disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 — — US disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 — — WO disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 — — WO disclosed
EP-1865958-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS Surface Logix, Inc. (US) 2007-12-19 — — EP disclosed
WO-2006105081-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2006-10-05 — — 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 (6 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-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885AURKB 405/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885AURKB 405/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885AURKB 405/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885AURKB 405/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885AURKB 405/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885AURKB 315/4885

“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.