SCHEMBL24986932

SCHEMBL24986932

COC(=O)c1cc2c(c(-c3ccc(Cl)c(C(=O)OC)n3)c1)OC(F)(F)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 2/20 0.37
KDM4E B2RXH2 3/20 0.35
PKM P14618 1/20 0.35
RCE1 Q9Y256 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PDK2 Q15119 1/20 0.33
NOTUM Q6P988 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
WDR5 P61964 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALPL P05186 1/20 0.32
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CSNK1G3 Q9Y6M4 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR3 Q99500 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
SCHEMBL30185262 1.00 CSNK1E (0.37) CSNK1EKDM4EPKMRCE1ALDH1A1
SCHEMBL24986944 0.85 ADORA2A (0.38) CSNK1EKDM4EPKMRCE1ALDH1A1
SCHEMBL30185155 0.85 ADORA2A (0.38) CSNK1EKDM4EPKMRCE1ALDH1A1
SCHEMBL30185317 0.83 STIM1 (0.44) CSNK1EKDM4EPKMRCE1ALDH1A1
SCHEMBL24987912 0.83 STIM1 (0.44) CSNK1EKDM4EPKMRCE1ALDH1A1
SCHEMBL24986967 0.82 CSNK1E (0.35) CSNK1EKDM4EPKMRCE1ALDH1A1
SCHEMBL30185105 0.82 CSNK1E (0.35) CSNK1EKDM4EPKMRCE1ALDH1A1
SCHEMBL24985516 0.82 KDM4E (0.36) KDM4EPKMRCE1ALDH1A1PDK2
SCHEMBL30185237 0.82 KDM4E (0.36) KDM4EPKMRCE1ALDH1A1PDK2
SCHEMBL24985249 0.82 ADORA2A (0.34) CSNK1EKDM4EPKMRCE1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 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 (1 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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT CSNK1E 4308/4885KDM4E 1143/4885PKM 1121/4885

“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.