SCHEMBL1729223

SCHEMBL1729223

COc1cc2nc(-c3cccc(NC(=O)c4cccnc4)c3)nc(Nc3ccc4c(cnn4C(=O)O)c3)c2cc1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.58
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
ABCB1 P08183 2/20 0.45
MAPK14 Q16539 2/20 0.44
EGFR P00533 1/20 0.44
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ROCK2 O75116 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PIK3CA P42336 1/20 0.41
HPGD P15428 1/20 0.41
UBE2N P61088 1/20 0.41

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
SCHEMBL1724395 0.92 ABCG2 (0.59) ABCG2KDM4EMAPTABCB1MAPK14
SCHEMBL3794082 0.92 ABCG2 (0.53) ABCG2KDM4EMAPTABCB1MAPK14
SCHEMBL1724296 0.91 ABCG2 (0.56) ABCG2KDM4EMAPTABCB1MAPK14
SCHEMBL1729989 0.90 ABCG2 (0.60) ABCG2KDM4EMAPTL3MBTL1ROCK2
SCHEMBL13319599 0.89 ABCG2 (0.55) ABCG2KDM4EMAPTABCB1MAPK14
SCHEMBL1729220 0.89 MEN1 (0.44) ABCG2KDM4EMAPTABCB1EGFR
SCHEMBL877820 0.87 ROCK2 (0.54) ABCG2KDM4EMAPTMAPK14EGFR
SCHEMBL877621 0.86 ROCK2 (0.45) ABCG2ABCB1EGFRROCK2
SCHEMBL1727990 0.85 ABCG2 (0.58) ABCG2KDM4EMAPTL3MBTL1ROCK2
SCHEMBL877821 0.84 ROCK2 (0.45) ABCG2ABCB1EGFRROCK2PIK3CA

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 280/4885KDM4E 3007/4885MAPT 1198/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ABCG2 280/4885KDM4E 3007/4885MAPT 1198/4885
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ABCG2 280/4885KDM4E 3007/4885MAPT 1198/4885
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ABCG2 280/4885KDM4E 3007/4885MAPT 1198/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ABCG2 280/4885KDM4E 3007/4885MAPT 1198/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ABCG2 280/4885KDM4E 3007/4885MAPT 1198/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ABCG2 280/4885KDM4E 3007/4885MAPT 1198/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ABCG2 1067/4885KDM4E 2220/4885MAPT 1133/4885

“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.