SCHEMBL11920174

SCHEMBL11920174

COc1ccc2nc(-c3ccc(-c4ccccc4)cc3)nc(Nc3ccc4[nH]ncc4c3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.60
PAK4 O96013 2/20 0.58
PRKD3 O94806 2/20 0.58
MET P08581 1/20 0.58
ABCG2 Q9UNQ0 5/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ROCK1 Q13464 3/20 0.55
TGFBR1 P36897 1/20 0.55
PDE5A O76074 1/20 0.54
CSNK2A1 P68400 2/20 0.54
STK3 Q13188 2/20 0.54
AURKB Q96GD4 2/20 0.54
CLK4 Q9HAZ1 2/20 0.54
STK17A Q9UEE5 2/20 0.54
ABCB1 P08183 2/20 0.54
ABCC1 P33527 1/20 0.54
CLK2 P49760 1/20 0.54
BLK P51451 1/20 0.54
DYRK1A Q13627 1/20 0.54

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
SCHEMBL11920218 0.98 ROCK2 (0.61) ROCK2PAK4PRKD3METABCG2
SCHEMBL3590103 0.90 ABCG2 (0.67) ROCK2ABCG2MEN1KMT2AROCK1
SCHEMBL14475760 0.90 ABCG2 (0.66) ROCK2PAK4PRKD3METABCG2
SCHEMBL3580880 0.88 RET (0.64) ROCK2PRKD3METABCG2ROCK1
SCHEMBL3578657 0.87 TNIK (0.53) ROCK2PAK4PRKD3METABCG2
SCHEMBL3590236 0.86 ROCK2 (0.78) ROCK2ABCG2MEN1KMT2AROCK1
SCHEMBL3587569 0.85 TGFBR1 (0.69) ROCK2ABCG2MEN1KMT2AROCK1
SCHEMBL3588932 0.85 ROCK2 (0.63) ROCK2PRKD3METABCG2MEN1
SCHEMBL14962742 0.85 PRKD3 (0.74) ROCK2PAK4PRKD3METABCG2
SCHEMBL11920173 0.85 ROCK2 (0.58) ROCK2PRKD3METABCG2MEN1

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 16 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-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
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
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 ROCK2 1/4885PAK4 175/4885PRKD3 322/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885PAK4 175/4885PRKD3 322/4885
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885PAK4 175/4885PRKD3 322/4885
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885PAK4 175/4885PRKD3 322/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885PAK4 175/4885PRKD3 322/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885PAK4 175/4885PRKD3 322/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885PAK4 175/4885PRKD3 322/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885PAK4 172/4885PRKD3 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.