SCHEMBL876815

SCHEMBL876815

CC(C)(C)OC(=O)COc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)O)c3)c3ccccc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.54
ROCK1 Q13464 2/20 0.54
CLK2 P49760 1/20 0.54
BLK P51451 1/20 0.54
CSNK2A1 P68400 1/20 0.54
STK3 Q13188 1/20 0.54
DYRK1A Q13627 1/20 0.54
AURKB Q96GD4 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
STK17A Q9UEE5 1/20 0.54
ABCG2 Q9UNQ0 10/20 0.50
ABCB1 P08183 3/20 0.47
PDE5A O76074 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TGFBR1 P36897 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL877704 0.95 ROCK2 (0.54) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL878289 0.89 ROCK2 (0.53) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL21137433 0.88 ROCK2 (0.52) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL877096 0.87 ROCK2 (0.71) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL30915548 0.87 ROCK2 (0.71) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL4784466 0.86 ABCG2 (0.50) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL30915546 0.86 ROCK2 (0.65) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL877230 0.86 ROCK2 (0.65) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL30915545 0.86 ROCK2 (0.65) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL877856 0.84 ROCK2 (0.68) ROCK2ROCK1CLK2BLKCSNK2A1

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 15 patents. 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-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-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-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS KADMON CORPORATION, LLC 2015-12-03 US disclosed
EP-1865958-B1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2015-07-08 EP disclosed
US-8916576-B2 Pharmacokinetically improved compounds SURFACE LOGIX, INC. (US) 2014-12-23 US disclosed
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2013-05-23 US disclosed
US-8357693-B2 Pharmacokinetically improved compounds SURFACE LOGIX, INC. (US) 2013-01-22 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
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
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 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 (8 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 2/4885CLK2 1983/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885CLK2 1983/4885
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885CLK2 1983/4885
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885CLK2 1983/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885CLK2 1983/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885CLK2 1983/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885CLK2 1983/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885CLK2 330/4885

“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.