SCHEMBL9989317

SCHEMBL9989317

CC(C)(C)OC(=O)n1ncc2cc(B(O)OC(C)(C)C(C)(C)O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 2/20 0.41
CHEK2 O96017 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PAK1 Q13153 1/20 0.41
DYRK1A Q13627 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
TAOK1 Q7L7X3 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
EEF2K O00418 1/20 0.40
MAP4K4 O95819 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3B P49841 1/20 0.40
PRKX P51817 1/20 0.40
NEK4 P51957 1/20 0.40
PRKG2 Q13237 1/20 0.40
PKN2 Q16513 1/20 0.40
AURKB Q96GD4 1/20 0.40
PBK Q96KB5 1/20 0.40

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
SCHEMBL31467143 0.85 ROCK2 (0.45) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL2483647 0.85 ROCK2 (0.45) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL595107 0.80 PIK3CD (0.40) EGFRHSP90AB1
SCHEMBL8048 0.77 MAP2K4 (0.33) ELANESLC22A12
SCHEMBL13539429 0.76 SLC22A12 (0.52) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL20139305 0.76 ROCK2 (0.49) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL31414297 0.76 ROCK2 (0.49) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL13165280 0.74 ROCK2 (0.46) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL2481963 0.74 EGFR (0.48) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL10588 0.74 ROCK2 (0.46) ROCK2ROCK1CHEK2PRKACARPS6KA3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 EP disclosed
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2020-12-08 US disclosed
CN-106536507-B 2, 3-disubstituted pyridine compounds as TGF- β inhibitors and methods of use thereof 里格尔药品股份有限公司 2020-04-07 CN disclosed
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2019-09-19 US disclosed
EP-3129367-B1 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2019-09-04 EP disclosed
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2019-03-19 US disclosed
US-9878992-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-20170342048-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2017-11-30 US disclosed
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use MIDCAP FINANCIAL TRUST 2017-04-06 US disclosed
EP-3129367-A1 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS AND METHODS OF USE Rigel Pharmaceuticals, Inc. (US) 2017-02-15 EP disclosed
US-9518040-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-12-13 US disclosed
US-20160052909-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2016-02-25 US disclosed
WO-2015157093-A1 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2015-10-15 WO disclosed
US-9145433-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-09-29 US disclosed
US-9024093-B2 Fluorination of organic compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-05-05 US disclosed
US-20140107073-A1 GDF-8 Inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-12-22 US 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-20140107073-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 ROCK2 500/4885ROCK1 229/4885CHEK2 2115/4885
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS SLCO1B3, SLCO2B1, FLI1 ROCK2 1379/4885ROCK1 1835/4885CHEK2 1627/4885
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 ROCK2 416/4885ROCK1 471/4885CHEK2 177/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 ROCK2 500/4885ROCK1 229/4885CHEK2 2115/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 ROCK2 202/4885ROCK1 306/4885CHEK2 128/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 ROCK2 267/4885ROCK1 424/4885CHEK2 131/4885
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR1, TGFBR2, ACVR1 ROCK2 416/4885ROCK1 471/4885CHEK2 177/4885
US-20160052909-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 ROCK2 500/4885ROCK1 229/4885CHEK2 2115/4885

“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.