Sugi Predict

Sugi Predict / Compounds / SCHEMBL876581

SCHEMBL876581

SCHEMBL876581

O=C(CN1CCOCC1)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 16/20 0.70
▸ ROCK1 Q13464 5/20 0.70
▸ CSNK2A1 P68400 2/20 0.58
▸ STK3 Q13188 2/20 0.58
▸ AURKB Q96GD4 2/20 0.58
▸ CLK4 Q9HAZ1 2/20 0.58
▸ STK17A Q9UEE5 2/20 0.58
▸ PRKD3 O94806 2/20 0.58
▸ PLK4 O00444 1/20 0.58
▸ CHEK2 O96017 1/20 0.58
▸ PRKCG P05129 1/20 0.58
▸ PHKG2 P15735 1/20 0.58
▸ CDK2 P24941 1/20 0.58
▸ AKT1 P31749 1/20 0.58
▸ AKT2 P31751 1/20 0.58
▸ MAP2K2 P36507 1/20 0.58
▸ PRKCI P41743 1/20 0.58
▸ MAPKAPK2 P49137 1/20 0.58
▸ PRKCQ Q04759 1/20 0.58
▸ ACVR1 Q04771 1/20 0.58

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
SCHEMBL3789051 0.92 ROCK2 (0.68) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL876826 0.88 ROCK2 (0.69) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL24271205 0.88 ROCK2 (0.63) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL11919214 0.88 ROCK2 (0.87) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL20953095 0.87 ROCK2 (0.67) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL20953067 0.87 ROCK2 (0.67) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL20534524 0.87 ROCK2 (0.71) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL1727178 0.87 ROCK2 (0.81) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL11919876 0.86 PRKD3 (0.77) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL13186781 0.86 ROCK2 (0.81) ROCK2ROCK1CSNK2A1STK3AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 — — US claimed
EP-1865958-B1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2015-07-08 — — EP claimed
US-8916576-B2 Pharmacokinetically improved compounds SURFACE LOGIX, INC. (US) 2014-12-23 — — US claimed
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2013-05-23 — — US claimed
US-8357693-B2 Pharmacokinetically improved compounds SURFACE LOGIX, INC. (US) 2013-01-22 — — US claimed
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
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 — — US claimed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 — — WO claimed
EP-1865958-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS Surface Logix, Inc. (US) 2007-12-19 — — EP claimed
WO-2006105081-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2006-10-05 — — WO claimed
US-20260034127-A1 TREATMENT OF GVHD KADMON CORP LLC (FR) 2026-02-05 — — US disclosed
US-20220395501-A1 TREATMENT OF GVHD KADMON CORP LLC (US) 2022-12-15 — — US disclosed
EP-2903618-B1 RHO KINASE INHIBITORS KADMON CORP LLC (US) 2022-06-01 — — EP disclosed
US-11311541-B2 Treatment of GVHD KADMON CORPORATION, LLC (US) 2022-04-26 — — 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 (7 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 2/4885CSNK2A1 2058/4885
US-20260034127-A1 TREATMENT OF GVHD ROCK2, RHOA, MYH2 ROCK2 1/4885ROCK1 4/4885CSNK2A1 452/4885
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885CSNK2A1 2058/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885CSNK2A1 2058/4885
US-20220395501-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOXF2 ROCK2 1/4885ROCK1 2/4885CSNK2A1 370/4885
US-11311541-B2 Treatment of GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885CSNK2A1 438/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885CSNK2A1 1050/4885

“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.