Sugi Predict

Sugi Predict / Compounds / SCHEMBL877683

SCHEMBL877683

SCHEMBL877683

COc1cc2nc(-c3ccc(-c4ccccc4)c(F)c3)nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2cc1OCCCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.44
▸ ITK Q08881 1/20 0.44
▸ ERBB2 P04626 3/20 0.44
▸ ERBB4 Q15303 2/20 0.42
▸ ABCG2 Q9UNQ0 5/20 0.40
▸ ROCK2 O75116 3/20 0.40
▸ AURKB Q96GD4 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ EPHA2 P29317 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ EPHB4 P54760 1/20 0.39
▸ CHEK2 O96017 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ PAK1 Q13153 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ PRKD2 Q9BZL6 1/20 0.38
▸ MET P08581 1/20 0.38

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
SCHEMBL11917059 0.94 EGFR (0.44) EGFRITKERBB2ERBB4ABCG2
SCHEMBL877263 0.92 ERBB2 (0.47) EGFRERBB2ERBB4ABCG2ROCK2
SCHEMBL877430 0.91 ERBB2 (0.47) EGFRITKERBB2ERBB4ABCG2
SCHEMBL877185 0.90 EGFR (0.44) EGFRITKERBB2ABCG2ROCK2
SCHEMBL877259 0.90 EGFR (0.45) EGFRITKERBB2ABCG2ROCK2
SCHEMBL11917057 0.86 EGFR (0.48) EGFRITKABCG2ROCK2AURKB
SCHEMBL877936 0.86 ROCK2 (0.47) EGFRITKERBB2ERBB4ROCK2
SCHEMBL882886 0.85 EGFR (0.44) EGFRITKERBB2ERBB4ABCG2
SCHEMBL11917058 0.85 EGFR (0.46) EGFRITKABCG2ROCK2AURKB
SCHEMBL877935 0.85 ROCK2 (0.56) EGFRITKERBB2ERBB4ROCK2

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 32 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-9440961-B2 Rho-kinase inhibitors and method of preparation SURFACE LOGIX, INC. (US) 2016-09-13 — — 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 EGFR 3187/4885ITK 4592/4885ERBB2 2849/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 EGFR 3187/4885ITK 4592/4885ERBB2 2849/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 EGFR 3187/4885ITK 4592/4885ERBB2 2849/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 EGFR 3187/4885ITK 4592/4885ERBB2 2849/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 EGFR 3187/4885ITK 4592/4885ERBB2 2849/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA EGFR 2240/4885ITK 2797/4885ERBB2 1482/4885

“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.