SCHEMBL882602

SCHEMBL882602

Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(O)ccc3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.57
ROCK1 Q13464 3/20 0.57
EGFR P00533 2/20 0.53
ABCG2 Q9UNQ0 2/20 0.52
TGFBR1 P36897 1/20 0.52
CSNK2A1 P68400 2/20 0.52
STK3 Q13188 2/20 0.52
AURKB Q96GD4 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
STK17A Q9UEE5 2/20 0.52
CLK2 P49760 1/20 0.52
BLK P51451 1/20 0.52
DYRK1A Q13627 1/20 0.52
PRKD3 O94806 2/20 0.52
MET P08581 1/20 0.52
PLK4 O00444 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

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
SCHEMBL11920240 0.91 ROCK2 (0.59) ROCK2ROCK1EGFRABCG2TGFBR1
SCHEMBL13319629 0.89 MEN1 (0.60) ROCK2ROCK1ABCG2TGFBR1CSNK2A1
SCHEMBL11920173 0.89 ROCK2 (0.58) ROCK2ROCK1EGFRABCG2TGFBR1
SCHEMBL14962718 0.89 ROCK2 (0.58) ROCK2ROCK1ABCG2TGFBR1CSNK2A1
SCHEMBL882717 0.88 ROCK2 (0.69) ROCK2ROCK1EGFRABCG2TGFBR1
SCHEMBL26389170 0.85 ROCK2 (0.70) ROCK2ROCK1ABCG2TGFBR1CSNK2A1
SCHEMBL31484231 0.85 ROCK2 (0.70) ROCK2ROCK1ABCG2TGFBR1CSNK2A1
SCHEMBL10220857 0.82 PRKD3 (0.76) ROCK2ROCK1EGFRTGFBR1CSNK2A1
SCHEMBL882490 0.81 PRKD3 (0.74) ROCK2ROCK1EGFRABCG2TGFBR1
SCHEMBL3589215 0.81 TGFBR1 (0.65) ROCK2ROCK1ABCG2TGFBR1CSNK2A1

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 14 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
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
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 1/4885ROCK1 2/4885EGFR 3187/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885EGFR 3187/4885
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885EGFR 3187/4885
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885EGFR 3187/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885EGFR 3187/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885EGFR 3187/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885EGFR 3187/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885EGFR 2240/4885

“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.