SCHEMBL1723307

SCHEMBL1723307

CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(-c4cccc(NC(=O)N5CCOCC5)c4)nc4ccccc34)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
ITK Q08881 1/20 0.47
BTK Q06187 1/20 0.46
ABCG2 Q9UNQ0 6/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ABCB1 P08183 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 2/20 0.45
KDM1A O60341 1/20 0.44
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 1/20 0.43
TP53 P04637 1/20 0.43
PDE5A O76074 1/20 0.42
NPY5R Q15761 1/20 0.42
TGFBR1 P36897 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL3795928 0.92 EGFR (0.48) EGFRITKABCG2MAPTMEN1
SCHEMBL877930 0.90 ROCK2 (0.51) EGFRITKBTKABCG2MAPT
SCHEMBL876808 0.86 EGFR (0.51) EGFRITKABCG2MAPTMEN1
SCHEMBL877253 0.86 KDM1A (0.51) EGFRITKABCG2MAPTMEN1
SCHEMBL877926 0.85 EGFR (0.50) EGFRITKABCG2MAPTMEN1
SCHEMBL877141 0.85 EGFR (0.52) EGFRITKABCG2MAPTMEN1
SCHEMBL3796120 0.84 EGFR (0.48) EGFRITKABCG2MAPTMEN1
SCHEMBL876964 0.84 EGFR (0.49) EGFRITKABCG2MAPTMEN1
SCHEMBL3792768 0.84 EGFR (0.49) EGFRITKABCG2MAPTMEN1
SCHEMBL876846 0.84 EGFR (0.49) EGFRITKABCG2MAPTMEN1

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 35 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-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-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
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
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
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 (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 EGFR 3187/4885ITK 4592/4885BTK 1613/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 EGFR 3187/4885ITK 4592/4885BTK 1613/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 EGFR 3187/4885ITK 4592/4885BTK 1613/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 EGFR 3187/4885ITK 4592/4885BTK 1613/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 EGFR 3187/4885ITK 4592/4885BTK 1613/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA EGFR 2240/4885ITK 2797/4885BTK 924/4885

“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.