SCHEMBL3798019

SCHEMBL3798019

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.52
EGFR P00533 2/20 0.46
ITK Q08881 1/20 0.46
ROCK2 O75116 4/20 0.45
PRKD3 O94806 1/20 0.43
MET P08581 1/20 0.43
AURKB Q96GD4 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
MAPK14 Q16539 2/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
ABCB1 P08183 2/20 0.40
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 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
SCHEMBL22904207 0.94 ABCG2 (0.49) ABCG2EGFRITKROCK2PRKD3
SCHEMBL1724296 0.92 ABCG2 (0.56) ABCG2EGFRROCK2PRKD3MET
SCHEMBL3794082 0.91 ABCG2 (0.53) ABCG2EGFRITKROCK2MAPK14
SCHEMBL3793329 0.91 ABCG2 (0.54) ABCG2EGFRITKROCK2MAPK14
SCHEMBL4784662 0.91 EGFR (0.43) ABCG2EGFRITKROCK2PRKD3
SCHEMBL10220363 0.89 ROCK2 (0.56) EGFRITKROCK2PRKD3MET
SCHEMBL878230 0.88 EGFR (0.44) EGFRITKROCK2PRKD3MET
SCHEMBL10218120 0.88 FGFR1 (0.49) ABCG2EGFRITKROCK2PRKD3
SCHEMBL882886 0.88 EGFR (0.44) ABCG2EGFRITKROCK2PRKD3
SCHEMBL11920209 0.87 EGFR (0.43) EGFRITKROCK2PRKD3MET

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 29 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-9440961-B2 Rho-kinase inhibitors and method of preparation SURFACE LOGIX, INC. (US) 2016-09-13 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-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
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
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 (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 ABCG2 280/4885EGFR 3187/4885ITK 4592/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ABCG2 280/4885EGFR 3187/4885ITK 4592/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ABCG2 280/4885EGFR 3187/4885ITK 4592/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ABCG2 280/4885EGFR 3187/4885ITK 4592/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ABCG2 280/4885EGFR 3187/4885ITK 4592/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ABCG2 1067/4885EGFR 2240/4885ITK 2797/4885

“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.