SCHEMBL1724296

SCHEMBL1724296

COCCOc1cc2c(Nc3ccc4c(cnn4C(=O)O)c3)nc(-c3cccc(NC(=O)c4cccnc4)c3)nc2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.56
ROCK2 O75116 3/20 0.47
PRKD3 O94806 1/20 0.47
MET P08581 1/20 0.47
AURKB Q96GD4 2/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
EGFR P00533 3/20 0.45
MAPK14 Q16539 2/20 0.45
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
ABCB1 P08183 1/20 0.43
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL3798019 0.92 ABCG2 (0.52) ABCG2ROCK2PRKD3METAURKB
SCHEMBL1729223 0.91 ABCG2 (0.58) ABCG2ROCK2EGFRMAPK14KDM4E
SCHEMBL1724395 0.91 ABCG2 (0.59) ABCG2AURKBEGFRMAPK14KDM4E
SCHEMBL4781518 0.90 ABCG2 (0.44) ABCG2ROCK2PRKD3METEGFR
SCHEMBL878171 0.87 FGFR1 (0.52) ABCG2ROCK2PRKD3METAURKB
SCHEMBL877653 0.87 ROCK2 (0.45) ABCG2ROCK2PRKD3METAURKB
SCHEMBL22904207 0.86 ABCG2 (0.49) ABCG2ROCK2PRKD3METAURKB
SCHEMBL1725280 0.85 ROCK2 (0.63) ABCG2ROCK2PRKD3METAURKB
SCHEMBL1726310 0.84 ROCK2 (0.66) ROCK2PRKD3METAURKBEGFR
SCHEMBL1727990 0.84 ABCG2 (0.58) ABCG2ROCK2PRKD3KDM4EMAPT

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 15 patents. 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-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-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-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS KADMON CORPORATION, LLC 2015-12-03 US disclosed
EP-1865958-B1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2015-07-08 EP disclosed
US-8916576-B2 Pharmacokinetically improved compounds SURFACE LOGIX, INC. (US) 2014-12-23 US disclosed
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2013-05-23 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
EP-2406236-A1 RHO KINASE INHIBITORS Surface Logix, Inc. (US) 2012-01-18 EP disclosed
WO-2010104851-A1 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2010-09-16 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 280/4885ROCK2 1/4885PRKD3 322/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ABCG2 280/4885ROCK2 1/4885PRKD3 322/4885
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ABCG2 280/4885ROCK2 1/4885PRKD3 322/4885
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ABCG2 280/4885ROCK2 1/4885PRKD3 322/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ABCG2 280/4885ROCK2 1/4885PRKD3 322/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ABCG2 280/4885ROCK2 1/4885PRKD3 322/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ABCG2 280/4885ROCK2 1/4885PRKD3 322/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ABCG2 1067/4885ROCK2 1/4885PRKD3 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.