SCHEMBL2469820

SCHEMBL2469820

C=C(CN(C)C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.44
ALDH1A1 P00352 1/20 0.44
EGFR P00533 7/20 0.42
ABL1 P00519 2/20 0.33
TET2 Q6N021 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
TSHR P16473 1/20 0.31
SRC P12931 1/20 0.31

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
SCHEMBL29411305 0.86 PAX8 (0.42) PAX8ALDH1A1EGFRABL1TET2
SCHEMBL20261884 0.79 ALDH1A1 (0.38) PAX8ALDH1A1
SCHEMBL2145697 0.77 ALDH1A1 (0.45) PAX8ALDH1A1EGFREGLN1TSHR
SCHEMBL2700798 0.77 ALDH1A1 (0.41) PAX8ALDH1A1MEN1KMT2ATSHR
SCHEMBL17929095 0.77 ALDH1A1 (0.37) ALDH1A1MEN1KMT2A
Trimethylammonium SCHEMBL27587058 0.76 ALDH1A1 (0.44) PAX8ALDH1A1TET2MEN1KMT2A
Ammonia Solution, Strong SCHEMBL29173774 0.76 ALDH1A1 (0.39) PAX8ALDH1A1MEN1KMT2ATSHR
SCHEMBL20699315 0.76 EGFR (0.39) PAX8EGFRABL1
Hydrochloric Acid SCHEMBL5708074 0.76 MEN1 (0.42) PAX8ALDH1A1MEN1KMT2ATSHR
SCHEMBL22034598 0.76 ALDH1A1 (0.35) ALDH1A1MEN1KMT2A

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0029443-A4 PROCESS FOR COMPOSITE POLYMER BEADS. ICI AUSTRALIA LTD (AU) 1981-09-21 EP claimed
EP-0029443-A1 PROCESS FOR COMPOSITE POLYMER BEADS. ICI AUSTRALIA LTD (AU) 1981-06-03 EP claimed
WO-1980002687-A1 PROCESS FOR COMPOSITE POLYMER BEADS ICI AUSTRALIA LTD (AU) 1980-12-11 WO claimed
EP-3534899-B1 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS INC (US) 2022-06-01 EP disclosed
EP-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 EP disclosed
CN-106471106-A Variable-speed motor lubricant oil composite 捷客斯能源株式会社 2017-03-01 CN disclosed
CN-106414685-A Lubricating oil composition for differential gear device 捷客斯能源株式会社 2017-02-15 CN disclosed
CN-105051071-A Rubber composition comprising emulsion-polymerized conjugated diene polymer and silica suspension, and process for producing same ETIC INC 2015-11-11 CN disclosed
US-8993756-B2 Pyrrolopyrimidines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS MERCK SHARP & DOHME CORP. (US) 2014-11-27 US disclosed
EP-2788000-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-10-15 EP disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 WO disclosed
CN-1187764-A Topical personal care composition containing alkenyl or styrene end-capped silicone grafted copolymer PROCTER & GAMBLE (US) 1998-07-15 CN disclosed
US-4447475-A MIXING DISPERSION OF PARTICLES IN CROSSLINKED STYRENE POLYMER MATRIX WITH DISPERSANT AND SUSPENSION STABILIZER ICI AUSTRALIA LIMITED (AU) 1984-05-08 US disclosed
EP-0029443-A4 PROCESS FOR COMPOSITE POLYMER BEADS. ICI AUSTRALIA LTD (AU) 1981-09-21 EP disclosed
EP-0029443-A1 PROCESS FOR COMPOSITE POLYMER BEADS. ICI AUSTRALIA LTD (AU) 1981-06-03 EP disclosed
WO-1980002687-A1 PROCESS FOR COMPOSITE POLYMER BEADS ICI AUSTRALIA LTD (AU) 1980-12-11 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-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS JAK3, JAK1, JAK2 PAX8 4267/4885ALDH1A1 2206/4885EGFR 1095/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 PAX8 4742/4885ALDH1A1 342/4885EGFR 171/4885

“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.