Sugi Predict

Sugi Predict / Compounds / SCHEMBL3797274

SCHEMBL3797274

SCHEMBL3797274

COc1cc2nc(-c3cccc(NC(=O)CN4CCOCC4)c3)nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2cc1OCCN1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.73
▸ EGFR P00533 9/20 0.48
▸ MAP2K2 P36507 2/20 0.48
▸ AURKB Q96GD4 2/20 0.48
▸ MAP4K5 Q9Y4K4 2/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ CHEK2 O96017 1/20 0.48
▸ PRKCG P05129 1/20 0.48
▸ PHKG2 P15735 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ AKT1 P31749 1/20 0.48
▸ AKT2 P31751 1/20 0.48
▸ PRKCI P41743 1/20 0.48
▸ MAPKAPK2 P49137 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ PRKCQ Q04759 1/20 0.48
▸ ACVR1 Q04771 1/20 0.48
▸ MST1R Q04912 1/20 0.48
▸ PRKCD Q05655 1/20 0.48

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
SCHEMBL3793324 0.94 ROCK2 (0.63) ROCK2EGFRMAP2K2AURKBMAP4K5
SCHEMBL3793035 0.94 ROCK2 (0.63) ROCK2EGFRMAP2K2AURKBMAP4K5
SCHEMBL3790306 0.93 ROCK2 (0.77) ROCK2EGFRMAP2K2AURKBMAP4K5
SCHEMBL3798011 0.90 ROCK2 (0.58) ROCK2EGFRMAP2K2AURKBMAP4K5
SCHEMBL877134 0.87 ROCK2 (0.58) ROCK2EGFRMAP2K2AURKBMAP4K5
SCHEMBL1723523 0.86 ROCK2 (0.66) ROCK2EGFRMAP2K2AURKBMAP4K5
SCHEMBL1726310 0.86 ROCK2 (0.66) ROCK2EGFRMAP2K2AURKBMAP4K5
SCHEMBL877930 0.86 ROCK2 (0.51) ROCK2EGFRMAP2K2AURKBMAP4K5
SCHEMBL11920226 0.85 ROCK2 (0.57) ROCK2EGFRMAP2K2AURKBMAP4K5
SCHEMBL1724850 0.84 ROCK2 (1.00) ROCK2EGFRMAP2K2AURKBMAP4K5

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 29 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-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
US-20120202793-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2012-08-09 — — 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
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 ROCK2 1/4885EGFR 3187/4885MAP2K2 1151/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885EGFR 3187/4885MAP2K2 1151/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885EGFR 3187/4885MAP2K2 1151/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885EGFR 3187/4885MAP2K2 1151/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885EGFR 3187/4885MAP2K2 1151/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885EGFR 2240/4885MAP2K2 114/4885

“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.