SCHEMBL22980995

SCHEMBL22980995

Cn1cc(Br)c(C(F)F)cc1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL26237165 0.77 HDAC6 (0.33) HDAC6ATAD2
SCHEMBL20157391 0.75
SCHEMBL20157846 0.75
SCHEMBL29911786 0.74 HDAC6 (0.31) HDAC6ATAD2MAP2K2MAP2K1
SCHEMBL20157937 0.74 MAP2K2 (0.32) MAP2K2MAP2K1
SCHEMBL20157422 0.74
SCHEMBL21352133 0.74 MAPT (0.32)
SCHEMBL20158138 0.74 MAPT (0.32)
SCHEMBL20157933 0.74 MAP2K1 (0.39) ATAD2MAP2K2MAP2K1
SCHEMBL20606244 0.73 MAP2K1 (0.47) MAP2K2MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2022-09-15 US disclosed
EP-4010334-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS Novartis AG (CH) 2022-06-15 EP disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 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 (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-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 HDAC6 23/4885ATAD2 301/4885MAP2K2 1696/4885

“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.