SCHEMBL24986944

SCHEMBL24986944

COC(=O)c1nc(-c2cccc3c2OC(F)(F)O3)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ATR Q13535 1/20 0.38
WDR5 P61964 1/20 0.38
CSNK1E P49674 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CXCR2 P25025 2/20 0.35
CNR2 P34972 1/20 0.34
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
PKM P14618 1/20 0.34
RCE1 Q9Y256 1/20 0.34
JAK2 O60674 2/20 0.34
JAK3 P52333 2/20 0.34
PTK2 Q05397 2/20 0.34

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
SCHEMBL30185155 1.00 ADORA2A (0.38) ADORA2AATRWDR5CSNK1EKDM4E
SCHEMBL24985516 0.86 KDM4E (0.36) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL30185237 0.86 KDM4E (0.36) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL24987938 0.86 ATR (0.38) ADORA2AATRWDR5CXCR2STIM1
SCHEMBL24985249 0.86 ADORA2A (0.34) ADORA2AATRCSNK1EKDM4EALDH1A1
SCHEMBL30185279 0.86 ADORA2A (0.34) ADORA2AATRCSNK1EKDM4EALDH1A1
SCHEMBL24986932 0.85 CSNK1E (0.37) WDR5CSNK1EKDM4EALDH1A1STIM1
SCHEMBL30185262 0.85 CSNK1E (0.37) WDR5CSNK1EKDM4EALDH1A1STIM1
SCHEMBL16072664 0.83 ADORA2A (0.42) ADORA2AATRWDR5CSNK1EKDM4E
SCHEMBL24987912 0.83 STIM1 (0.44) CSNK1EKDM4EALDH1A1STIM1ORAI1

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 ADORA2A 689/4885ATR 805/4885WDR5 1063/4885

“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.