SCHEMBL24985172

SCHEMBL24985172

COC(=O)c1nc(-c2cccc3c2OC(F)(F)O3)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
STIM1 Q13586 2/20 0.38
ORAI1 Q96D31 2/20 0.38
ORAI2 Q96SN7 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CSNK1E P49674 1/20 0.37
WDR5 P61964 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
DOT1L Q8TEK3 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
POLB P06746 1/20 0.34
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GRM4 Q14833 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL30185254 1.00 ADORA2A (0.39) ADORA2ASTIM1ORAI1ORAI2FFAR4
SCHEMBL30185085 0.88 P2RX7 (0.35) ADORA2ASTIM1ORAI1ORAI2CSNK1E
SCHEMBL30185184 0.88 STIM1 (0.35) ADORA2ASTIM1ORAI1ORAI2CSNK1E
SCHEMBL24984538 0.88 STIM1 (0.35) ADORA2ASTIM1ORAI1ORAI2CSNK1E
SCHEMBL24984542 0.88 P2RX7 (0.35) ADORA2ASTIM1ORAI1ORAI2CSNK1E
SCHEMBL24984539 0.87 P2RX7 (0.35) ADORA2ASTIM1ORAI1ORAI2CSNK1E
SCHEMBL30185118 0.87 P2RX7 (0.35) ADORA2ASTIM1ORAI1ORAI2CSNK1E
SCHEMBL24984449 0.86 ALDH1A1 (0.37) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL30185232 0.86 ALDH1A1 (0.37) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL24986967 0.85 CSNK1E (0.35) STIM1ORAI1ORAI2CSNK1ENPC1

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 689/4885STIM1 3677/4885ORAI1 3850/4885

“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.