SCHEMBL1507345

SCHEMBL1507345

COC(=O)c1cnc2[nH]c(CNC(=O)OC(C)(C)C)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNA1C Q13936 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.39
KDM4A O75164 1/20 0.37
BCHE P06276 1/20 0.37
DYRK1A Q13627 1/20 0.37
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
MAPK10 P53779 1/20 0.35
NAMPT P43490 1/20 0.35
ATR Q13535 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL1715909 0.90 CACNA1H (0.47) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4A
SCHEMBL1507162 0.82 CACNA1H (0.51) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4A
SCHEMBL12309213 0.79 MAPK1 (0.41) L3MBTL1KDM4ELMNAMAPTMAPK1
SCHEMBL31565545 0.75 ATR (0.45) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4A
SCHEMBL24510154 0.75 FGFR3 (0.39) L3MBTL1KDM4ELMNAMAPTMAPK1
SCHEMBL15862034 0.75 NAMPT (0.38) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4A
SCHEMBL31360280 0.74 CACNA1H (0.50) CACNA1HCACNA1BCACNA1CKDM4ABCHE
SCHEMBL25155393 0.74 CACNA1H (0.50) CACNA1HCACNA1BCACNA1CKDM4ABCHE
SCHEMBL31133280 0.74 NAMPT (0.40) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4A
SCHEMBL24507620 0.74 CACNA1H (0.52) CACNA1HCACNA1BCACNA1CKDM4ABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10138254-B2 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-27 US disclosed
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
EP-3227302-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087373-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
EP-2300485-B1 PYRROLO-[2, 3-C]-PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME (US) 2012-01-18 EP disclosed
US-8017605-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2011-09-13 US disclosed
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS SAHOO SOUMYA P 2011-05-05 US disclosed
EP-2300485-A1 PYRROLO Ý2, 3-C¨PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS Merck Sharp & Dohme Corp. (US) 2011-03-30 EP disclosed
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 US disclosed
WO-2009152072-A1 PYRROLO [2, 3-C] PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2009-12-17 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 (4 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-10138254-B2 Bicyclic compounds as pest control agents DDT, BCHE, BAK1 CACNA1H 1666/4885CACNA1B 1406/4885CACNA1C 319/4885
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 CACNA1H 4818/4885CACNA1B 4867/4885CACNA1C 4841/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 CACNA1H 1666/4885CACNA1B 1406/4885CACNA1C 319/4885
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS MAPK1, MAP3K8, MAPK8 CACNA1H 4814/4885CACNA1B 4870/4885CACNA1C 4859/4885

“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.