SCHEMBL877430

SCHEMBL877430

COc1cc2nc(-c3cccc(-c4ccccc4)c3)nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2cc1OCCCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 5/20 0.47
EGFR P00533 4/20 0.44
ERBB4 Q15303 2/20 0.44
ITK Q08881 1/20 0.44
ROCK2 O75116 4/20 0.43
ROCK1 Q13464 2/20 0.41
CHEK2 O96017 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PAK1 Q13153 1/20 0.41
DYRK1A Q13627 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
EPHA2 P29317 3/20 0.41
EPHB4 P54760 2/20 0.41
KDR P35968 1/20 0.41
ABCG2 Q9UNQ0 5/20 0.41
ABCB1 P08183 3/20 0.41
ABCC1 P33527 1/20 0.41
AURKB Q96GD4 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL882886 0.94 EGFR (0.44) ERBB2EGFRERBB4ITKROCK2
SCHEMBL10220824 0.92 EGFR (0.44) ERBB2EGFRERBB4ITKROCK2
SCHEMBL877021 0.91 ERBB2 (0.51) ERBB2EGFRERBB4ROCK2ABCG2
SCHEMBL877683 0.91 EGFR (0.44) ERBB2EGFRERBB4ITKROCK2
SCHEMBL877391 0.90 ROCK2 (0.51) ERBB2EGFRERBB4ROCK2ROCK1
SCHEMBL877936 0.89 ROCK2 (0.47) ERBB2EGFRERBB4ITKROCK2
SCHEMBL877935 0.89 ROCK2 (0.56) ERBB2EGFRERBB4ITKROCK2
SCHEMBL877247 0.89 EGFR (0.44) ERBB2EGFRITKROCK2ROCK1
SCHEMBL877114 0.89 ABCG2 (0.45) ERBB2EGFRITKROCK2ROCK1
SCHEMBL877501 0.88 ROCK2 (0.51) EGFRROCK2ROCK1CHEK2PAK1

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 37 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
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
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 ERBB2 2849/4885EGFR 3187/4885ERBB4 4437/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ERBB2 2849/4885EGFR 3187/4885ERBB4 4437/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ERBB2 2849/4885EGFR 3187/4885ERBB4 4437/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ERBB2 2849/4885EGFR 3187/4885ERBB4 4437/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ERBB2 2849/4885EGFR 3187/4885ERBB4 4437/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ERBB2 1482/4885EGFR 2240/4885ERBB4 3467/4885

“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.