SCHEMBL21855486

SCHEMBL21855486

Nc1cnn2c(O)nc(-c3cncc(F)c3)nc12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.33
CYP11B1 P15538 3/20 0.33
CYP17A1 P05093 1/20 0.33
CYP3A4 P08684 1/20 0.33
AHR P35869 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TLR7 Q9NYK1 2/20 0.30
NQO2 P16083 1/20 0.30
ADORA2B P29275 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
SCHEMBL21899872 0.86 CYP11B1 (0.35) CYP11B2CYP11B1AHRKDM4EMEN1
SCHEMBL30579319 0.84 CYP11B2 (0.36) CYP11B2CYP11B1CYP17A1CYP3A4AHR
SCHEMBL21855501 0.84 AHR (0.35) CYP11B2CYP11B1CYP17A1CYP3A4AHR
SCHEMBL20542249 0.84 CYP11B2 (0.36) CYP11B2CYP11B1CYP17A1CYP3A4AHR
SCHEMBL20557960 0.81 AHR (0.33) CYP11B2CYP11B1CYP17A1CYP3A4AHR
SCHEMBL20558149 0.81 AHR (0.49) CYP11B2CYP11B1CYP17A1CYP3A4AHR
SCHEMBL20557838 0.81 AHR (0.33) CYP11B2CYP11B1CYP17A1CYP3A4AHR
SCHEMBL30579373 0.81 AHR (0.33) CYP11B2CYP11B1CYP17A1CYP3A4AHR
SCHEMBL21855459 0.79 POLB (0.35) CYP11B2CYP11B1CYP17A1CYP3A4AHR
SCHEMBL21855484 0.76 PIK3CA (0.39) AHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 US disclosed
WO-2020081636-A1 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-04-23 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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 CYP11B2 86/4885CYP11B1 77/4885CYP17A1 104/4885

“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.