SCHEMBL877820

SCHEMBL877820

CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)O)c3)c3cc(OC(C)=O)c(OC)cc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.54
PRKD3 O94806 2/20 0.51
MET P08581 1/20 0.51
PLK4 O00444 1/20 0.47
CHEK2 O96017 1/20 0.47
PRKCG P05129 1/20 0.47
PHKG2 P15735 1/20 0.47
CDK2 P24941 1/20 0.47
AKT1 P31749 1/20 0.47
AKT2 P31751 1/20 0.47
MAP2K2 P36507 1/20 0.47
PRKCI P41743 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
CSNK2A1 P68400 1/20 0.47
PRKCQ Q04759 1/20 0.47
ACVR1 Q04771 1/20 0.47
MST1R Q04912 1/20 0.47
PRKCD Q05655 1/20 0.47
MAP4K2 Q12851 1/20 0.47
PRKAA1 Q13131 1/20 0.47

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
SCHEMBL1723113 0.91 ROCK2 (0.53) ROCK2PRKD3METPLK4CHEK2
SCHEMBL3799508 0.91 ROCK2 (0.51) ROCK2PRKD3METPLK4CHEK2
SCHEMBL877965 0.90 ROCK2 (0.59) ROCK2PRKD3METPLK4CHEK2
SCHEMBL877821 0.90 ROCK2 (0.45) ROCK2PRKD3METEGFRERBB2
SCHEMBL877621 0.88 ROCK2 (0.45) ROCK2EGFRERBB2KDRABCG2
SCHEMBL1729223 0.87 ABCG2 (0.58) ROCK2EGFRPIK3CAABCG2MAPK14
SCHEMBL877549 0.85 PRKD3 (0.54) ROCK2PRKD3METPLK4CHEK2
SCHEMBL1729220 0.85 MEN1 (0.44) ROCK2CLK4EGFRERBB2ERBB4
SCHEMBL876653 0.84 ABCG2 (0.57) ABCG2MEN1MAPTKMT2A
SCHEMBL876652 0.84 ABCG2 (0.57) ABCG2MEN1MAPTKMT2A

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 14 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
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 1/4885PRKD3 322/4885MET 633/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885PRKD3 322/4885MET 633/4885
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885PRKD3 322/4885MET 633/4885
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885PRKD3 322/4885MET 633/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885PRKD3 322/4885MET 633/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885PRKD3 322/4885MET 633/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885PRKD3 322/4885MET 633/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885PRKD3 150/4885MET 480/4885

“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.