Sugi Predict

Sugi Predict / Compounds / SCHEMBL878196

SCHEMBL878196

SCHEMBL878196

O=C(NCc1ccccc1)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 18/20 0.68
▸ ROCK1 Q13464 8/20 0.68
▸ CLK4 Q9HAZ1 2/20 0.60
▸ CLK2 P49760 1/20 0.60
▸ BLK P51451 1/20 0.60
▸ CSNK2A1 P68400 1/20 0.60
▸ STK3 Q13188 1/20 0.60
▸ DYRK1A Q13627 1/20 0.60
▸ AURKB Q96GD4 1/20 0.60
▸ STK17A Q9UEE5 1/20 0.60
▸ PRKD3 O94806 1/20 0.56
▸ MET P08581 1/20 0.56
▸ RPS6KA5 O75582 1/20 0.55
▸ PRKACA P17612 1/20 0.55
▸ RPS6KB1 P23443 1/20 0.55
▸ PRKX P51817 1/20 0.55
▸ PRKG2 Q13237 1/20 0.55
▸ SGK2 Q9HBY8 1/20 0.55
▸ TGFBR1 P36897 1/20 0.55

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
SCHEMBL19969410 0.89 ROCK2 (0.64) ROCK2ROCK1CLK4CLK2BLK
SCHEMBL32670222 0.88 ROCK2 (0.63) ROCK2ROCK1CLK4CLK2BLK
SCHEMBL1724551 0.88 ROCK2 (0.63) ROCK2ROCK1CLK4CLK2BLK
SCHEMBL14962652 0.87 ROCK2 (0.71) ROCK2ROCK1CLK4CLK2BLK
SCHEMBL3586648 0.87 ROCK2 (0.75) ROCK2ROCK1CLK4CLK2BLK
SCHEMBL16872698 0.87 ROCK2 (0.69) ROCK2ROCK1CLK4CLK2BLK
SCHEMBL13351716 0.86 ROCK2 (0.61) ROCK2ROCK1CLK4CLK2BLK
SCHEMBL882785 0.85 ROCK2 (0.74) ROCK2ROCK1CLK4CLK2BLK
SCHEMBL882568 0.85 ROCK2 (0.76) ROCK2ROCK1CLK4CLK2BLK
SCHEMBL877412 0.84 ROCK2 (0.74) ROCK2ROCK1CLK4CLK2BLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9440961-B2 Rho-kinase inhibitors and method of preparation SURFACE LOGIX, INC. (US) 2016-09-13 — — US disclosed
US-9440961-B2 Rho-kinase inhibitors and method of preparation SURFACE LOGIX, INC. (US) 2016-09-13 — — US disclosed
US-20120202793-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2012-08-09 — — US disclosed
WO-2012040499-A2 METABOLIC INHIBITORS SURFACE LOGIX, INC. (US) 2012-03-29 — — WO disclosed
EP-2406236-A1 RHO KINASE INHIBITORS Surface Logix, Inc. (US) 2012-01-18 — — EP 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
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 2/4885CLK4 3487/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885CLK4 3487/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885CLK4 3487/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885CLK4 3487/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885CLK4 3487/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885CLK4 980/4885

“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.