SCHEMBL30259596

SCHEMBL30259596

N#Cc1cc(Br)cnc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.44
CYP11B1 P15538 3/20 0.44
CHEK1 O14757 1/20 0.37
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
TRPV4 Q9HBA0 2/20 0.32
AR P10275 1/20 0.32
S1PR3 Q99500 3/20 0.32
S1PR1 P21453 2/20 0.32
ABL1 P00519 1/20 0.32
KDR P35968 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KHK P50053 1/20 0.32

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
SCHEMBL15972115 1.00 CYP11B2 (0.44) CYP11B2CYP11B1CHEK1HTTKMT2A
SCHEMBL30217691 0.75 HTT (0.54) CYP11B2CYP11B1CHEK1HTTKMT2A
SCHEMBL459834 0.75 CHEK1 (0.37) CYP11B2CYP11B1CHEK1HTTKMT2A
SCHEMBL31200432 0.75 CHRNB2 (0.40) CYP11B2CYP11B1CHEK1HTTKMT2A
SCHEMBL17486279 0.75 CYP11B2 (0.37) CYP11B2CYP11B1CHEK1HTTKMT2A
SCHEMBL29658015 0.75 CYP11B2 (0.37) CYP11B2CYP11B1CHEK1HTTKMT2A
SCHEMBL322329 0.75 HTT (0.54) CYP11B2CYP11B1CHEK1HTTKMT2A
SCHEMBL1164261 0.75 ALDH1A1 (0.53) CYP11B2CYP11B1CHEK1HTTKMT2A
SCHEMBL29904603 0.75 ALDH1A1 (0.53) CYP11B2CYP11B1CHEK1HTTKMT2A
SCHEMBL17403581 0.75 CHRNB2 (0.40) CYP11B2CYP11B1CHEK1HTTKMT2A

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-20230063457-A1 DNA-PK INHIBITING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-03-02 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-20230063457-A1 DNA-PK INHIBITING COMPOUNDS DCK, POLK, ERCC2 CYP11B2 1696/4885CYP11B1 1446/4885CHEK1 7/4885

“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.