SCHEMBL878352

SCHEMBL878352

COCCOc1cc2c(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)nc(-c3cccc(OCc4ccccc4)c3)nc2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.44
ERBB2 P04626 4/20 0.43
PRKD3 O94806 1/20 0.42
MET P08581 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
EGFR P00533 5/20 0.41
ITK Q08881 1/20 0.41
KDR P35968 1/20 0.41
ERBB4 Q15303 3/20 0.41
JAK3 P52333 2/20 0.41
TLR9 Q9NR96 4/20 0.40
TLR7 Q9NYK1 2/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
ROCK1 Q13464 2/20 0.39
CLK2 P49760 1/20 0.39
BLK P51451 1/20 0.39
CSNK2A1 P68400 1/20 0.39
STK3 Q13188 1/20 0.39

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
SCHEMBL4780560 0.92 ERBB2 (0.47) ROCK2ERBB2PRKD3METABCB1
SCHEMBL882886 0.92 EGFR (0.44) ROCK2ERBB2PRKD3METABCB1
SCHEMBL882747 0.91 ROCK2 (0.47) ROCK2ERBB2PRKD3METABCB1
SCHEMBL10218120 0.90 FGFR1 (0.49) ROCK2ERBB2PRKD3METABCB1
SCHEMBL878230 0.89 EGFR (0.44) ROCK2ERBB2PRKD3METEGFR
SCHEMBL3797550 0.89 ROCK2 (0.50) ROCK2PRKD3METEGFRITK
SCHEMBL11920209 0.87 EGFR (0.43) ROCK2ERBB2PRKD3METEGFR
SCHEMBL877430 0.86 ERBB2 (0.47) ROCK2ERBB2ABCB1ABCG2EGFR
SCHEMBL878454 0.86 ABCG2 (0.49) ABCB1ABCG2EGFRITK
SCHEMBL4784662 0.86 EGFR (0.43) ROCK2ERBB2PRKD3METABCB1

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 28 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-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
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
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 1/4885ERBB2 2849/4885PRKD3 322/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ERBB2 2849/4885PRKD3 322/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ERBB2 2849/4885PRKD3 322/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885ERBB2 2849/4885PRKD3 322/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885ERBB2 2849/4885PRKD3 322/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ERBB2 1482/4885PRKD3 150/4885

“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.