SCHEMBL162956

SCHEMBL162956

CN(C)c1ccc2c(c1)CNC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.49
NTRK1 P04629 2/20 0.49
FLT3 P36888 2/20 0.49
GSK3B P49841 2/20 0.49
DAPK3 O43293 1/20 0.49
PIM1 P11309 1/20 0.49
ROCK1 Q13464 1/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
GRM5 P41594 4/20 0.47
ALDH1A1 P00352 1/20 0.47
MKNK1 Q9BUB5 2/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
BRAF P15056 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PRKCI P41743 1/20 0.40
DYRK1B Q9Y463 2/20 0.40
NTRK2 Q16620 2/20 0.40
MKNK2 Q9HBH9 2/20 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
SCHEMBL20430099 0.86 CLK4 (0.51) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL163519 0.83 CLK4 (0.44) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL1432600 0.83 PARP10 (0.63) GRM5PARP10PARP11
SCHEMBL26768112 0.83 MAOB (0.45) GRM5ALDH1A1KDM4EKDR
SCHEMBL26695991 0.81 PRF1 (0.46) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL9922267 0.76 TDP2 (0.58)
SCHEMBL18786847 0.76 MKNK1 (0.52) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL148819 0.76 PARP10 (0.68) CLK4NTRK1FLT3GSK3BDAPK3
Ethane SCHEMBL27832823 0.74 PARP10 (0.66) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL23136956 0.73 SMYD3 (0.50) CLK4NTRK1FLT3GSK3BDAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
CN-106220614-B Pyridone/pyrazinones, preparation method and application method 吉利德康涅狄格有限公司 2019-07-16 CN disclosed
CN-106220614-A Pyridone/pyrazinones, its preparation method and using method 吉利德康涅狄格有限公司 2016-12-14 CN disclosed
CN-103189369-B Pyridone/pyrazinones, methods of making, and methods of use thereof 吉利德康涅狄格有限公司 2016-08-24 CN disclosed
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
EP-2611790-B1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-11-04 EP disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
EP-2611790-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut, Inc. (US) 2013-07-10 EP disclosed
CN-103189369-A Pyridone/pyrazinones, methods of making, and methods of use thereof GILEAD CONNECTICUT INC 2013-07-03 CN disclosed
WO-2012031004-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 WO disclosed
WO-2012031004-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 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 (2 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 CLK4 1454/4885NTRK1 4016/4885FLT3 1856/4885
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, PDXK, TYK2 CLK4 354/4885NTRK1 729/4885FLT3 138/4885

“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.