SCHEMBL29911963

SCHEMBL29911963

Cc1ncc(CC#N)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
FLT3 P36888 2/20 0.32
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ATP4A P20648 1/20 0.30
ATP4B P51164 1/20 0.30

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
SCHEMBL31458896 0.78 CYP11B1 (0.46) CSNK2A1CYP11B1CYP11B2
SCHEMBL17785010 0.78 CYP11B1 (0.41) CYP11B1CYP11B2FLT3KDM4ETDP1
SCHEMBL25826341 0.78 CYP11B1 (0.41) CYP11B1CYP11B2FLT3KDM4ETDP1
SCHEMBL28400087 0.78 CYP11B1 (0.46) CSNK2A1CYP11B1CYP11B2
SCHEMBL1924124 0.77 FLT3 (0.37) CSNK2A1FLT3HTTKDM4E
SCHEMBL16421188 0.76 PARP1 (0.33) CYP11B1CYP11B2HTTKDM4E
SCHEMBL335179 0.75 HSD17B10 (0.37) KDM4E
SCHEMBL25826351 0.74 AR (0.35) CYP11B1CYP11B2HTTKDM4E
SCHEMBL22622053 0.73 GAA (0.32)
SCHEMBL12042082 0.72 KDM4E (0.40) CYP11B1CYP11B2KDM4E

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-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2022-09-15 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-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 CSNK2A1 559/4885CYP11B1 4074/4885CYP11B2 4305/4885

“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.