SCHEMBL877133

SCHEMBL877133

CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3cc(OCCCl)ccc3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.59
MET P08581 1/20 0.59
ROCK2 O75116 11/20 0.58
ROCK1 Q13464 4/20 0.57
AURKB Q96GD4 4/20 0.57
CLK4 Q9HAZ1 3/20 0.57
CHEK2 O96017 2/20 0.57
PAK1 Q13153 2/20 0.57
PRKD2 Q9BZL6 2/20 0.57
CSNK2A1 P68400 2/20 0.57
STK3 Q13188 2/20 0.57
STK17A Q9UEE5 2/20 0.57
MAP2K2 P36507 2/20 0.57
PBK Q96KB5 2/20 0.57
SLK Q9H2G2 2/20 0.57
PLK4 O00444 1/20 0.57
PRKCG P05129 1/20 0.57
PHKG2 P15735 1/20 0.57
CDK2 P24941 1/20 0.57
AKT1 P31749 1/20 0.57

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
SCHEMBL19962178 0.94 PRKD3 (0.68) PRKD3METROCK2ROCK1AURKB
SCHEMBL877013 0.92 PRKD3 (0.64) PRKD3METROCK2ROCK1AURKB
SCHEMBL876565 0.91 PRKD3 (0.48) PRKD3METROCK2ROCK1AURKB
SCHEMBL877935 0.90 ROCK2 (0.56) PRKD3METROCK2ROCK1AURKB
SCHEMBL878169 0.89 PRKD3 (0.51) PRKD3METROCK2ROCK1AURKB
SCHEMBL10220363 0.84 ROCK2 (0.56) PRKD3METROCK2ROCK1AURKB
SCHEMBL877141 0.84 EGFR (0.52) ROCK2ROCK1CHEK2PAK1PRKD2
SCHEMBL877064 0.84 ROCK2 (0.51) PRKD3METROCK2ROCK1AURKB
SCHEMBL3799508 0.83 ROCK2 (0.51) PRKD3METROCK2ROCK1AURKB
SCHEMBL882819 0.82 PRKD3 (0.74) PRKD3METROCK2ROCK1AURKB

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 18 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-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
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 (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 PRKD3 322/4885MET 633/4885ROCK2 1/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 PRKD3 322/4885MET 633/4885ROCK2 1/4885
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 PRKD3 322/4885MET 633/4885ROCK2 1/4885
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 PRKD3 322/4885MET 633/4885ROCK2 1/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 PRKD3 322/4885MET 633/4885ROCK2 1/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 PRKD3 322/4885MET 633/4885ROCK2 1/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 PRKD3 322/4885MET 633/4885ROCK2 1/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA PRKD3 150/4885MET 480/4885ROCK2 1/4885

“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.