Sugi Predict

Sugi Predict / Compounds / SCHEMBL877789

SCHEMBL877789

SCHEMBL877789

COc1cc2nc(-c3ccc(-c4ccccc4)c(F)c3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OCCN1CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 6/20 0.61
▸ AURKB Q96GD4 9/20 0.52
▸ ROCK1 Q13464 2/20 0.52
▸ PLK4 O00444 1/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ CHEK2 O96017 1/20 0.52
▸ PRKCG P05129 1/20 0.52
▸ PHKG2 P15735 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ AKT1 P31749 1/20 0.52
▸ AKT2 P31751 1/20 0.52
▸ MAP2K2 P36507 1/20 0.52
▸ PRKCI P41743 1/20 0.52
▸ MAPKAPK2 P49137 1/20 0.52
▸ CSNK2A1 P68400 1/20 0.52
▸ PRKCQ Q04759 1/20 0.52
▸ ACVR1 Q04771 1/20 0.52
▸ MST1R Q04912 1/20 0.52
▸ PRKCD Q05655 1/20 0.52
▸ MAP4K2 Q12851 1/20 0.52

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
SCHEMBL877225 0.96 ROCK2 (0.66) ROCK2AURKBROCK1PLK4PRKD3
SCHEMBL5571128 0.90 ROCK2 (0.54) ROCK2AURKBROCK1PLK4PRKD3
SCHEMBL877574 0.90 ROCK2 (0.67) ROCK2AURKBROCK1PLK4PRKD3
SCHEMBL878381 0.88 ROCK2 (0.67) ROCK2AURKBROCK1PLK4PRKD3
SCHEMBL877639 0.88 ROCK2 (0.55) ROCK2AURKBROCK1PRKD3CSNK2A1
SCHEMBL3794720 0.86 ROCK2 (0.75) ROCK2AURKBROCK1PLK4PRKD3
SCHEMBL877292 0.86 ROCK2 (0.72) ROCK2AURKBROCK1PLK4PRKD3
SCHEMBL3794722 0.85 ROCK2 (0.71) ROCK2AURKBROCK1PLK4PRKD3
SCHEMBL877053 0.84 ROCK2 (0.76) ROCK2AURKBROCK1PLK4PRKD3
SCHEMBL21136953 0.83 ROCK2 (0.76) ROCK2AURKBROCK1PLK4PRKD3

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 37 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 1/4885AURKB 405/4885ROCK1 2/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885AURKB 405/4885ROCK1 2/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885AURKB 405/4885ROCK1 2/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885AURKB 405/4885ROCK1 2/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885AURKB 405/4885ROCK1 2/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885AURKB 315/4885ROCK1 2/4885

“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.