SCHEMBL877114

SCHEMBL877114

COc1cc2nc(-c3cccc(-c4ccccc4)c3)nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 15/20 0.45
EGFR P00533 1/20 0.45
ITK Q08881 1/20 0.45
ABCB1 P08183 6/20 0.43
ABCC1 P33527 2/20 0.43
SYK P43405 1/20 0.41
ERBB2 P04626 1/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
EEF2K O00418 1/20 0.41
MAP4K4 O95819 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3B P49841 1/20 0.41
PRKX P51817 1/20 0.41
NEK4 P51957 1/20 0.41
PRKG2 Q13237 1/20 0.41
PKN2 Q16513 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
AURKB Q96GD4 1/20 0.41
PBK Q96KB5 1/20 0.41

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
SCHEMBL877115 0.95 ABCG2 (0.47) ABCG2EGFRITKABCB1ABCC1
SCHEMBL877247 0.91 EGFR (0.44) ABCG2EGFRITKABCB1ABCC1
SCHEMBL877116 0.91 EGFR (0.43) ABCG2EGFRITKABCB1ABCC1
SCHEMBL877745 0.91 ABCG2 (0.49) ABCG2EGFRABCB1ABCC1ERBB2
SCHEMBL877259 0.90 EGFR (0.45) ABCG2EGFRITKABCB1ABCC1
SCHEMBL877430 0.89 ERBB2 (0.47) ABCG2EGFRITKABCB1ABCC1
SCHEMBL882886 0.89 EGFR (0.44) ABCG2EGFRITKABCB1ABCC1
SCHEMBL10220824 0.89 EGFR (0.44) ABCG2EGFRITKABCB1ABCC1
SCHEMBL877216 0.89 ABCG2 (0.53) ABCG2ABCB1
SCHEMBL877064 0.88 ROCK2 (0.51) ABCG2EGFRITKSYKERBB2

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 35 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-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-20120202793-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2012-08-09 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-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
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 ABCG2 280/4885EGFR 3187/4885ITK 4592/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ABCG2 280/4885EGFR 3187/4885ITK 4592/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ABCG2 280/4885EGFR 3187/4885ITK 4592/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ABCG2 280/4885EGFR 3187/4885ITK 4592/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ABCG2 280/4885EGFR 3187/4885ITK 4592/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ABCG2 1067/4885EGFR 2240/4885ITK 2797/4885

“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.