SCHEMBL29619215

SCHEMBL29619215

CC(C)c1cnn2c(Cl)nc(-c3cncc(F)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.49
IDH1 O75874 1/20 0.33
CYP11B2 P19099 8/20 0.32
CYP11B1 P15538 7/20 0.32
CYP17A1 P05093 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP3A4 P08684 1/20 0.32
TLR7 Q9NYK1 7/20 0.31
CDK7 P50613 1/20 0.31
CYP19A1 P11511 1/20 0.30
CDK2 P24941 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 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
SCHEMBL20541825 1.00 AHR (0.49) AHRIDH1CYP11B2CYP11B1CYP17A1
SCHEMBL24408393 0.88 AHR (0.40) AHRIDH1CYP11B2CYP11B1CHRNB2
SCHEMBL20558149 0.85 AHR (0.49) AHRCYP11B2CYP11B1CYP17A1CHRNB2
SCHEMBL21754321 0.85 AHR (0.49) AHRCYP11B2CYP11B1CHRNB2CHRNB4
SCHEMBL21855471 0.83 AHR (0.35) AHRCYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL20542084 0.83 CYP11B2 (0.36) AHRCYP11B2CYP11B1CYP17A1CHRNB2
SCHEMBL23771447 0.83 AHR (0.56) AHRIDH1CYP11B2CYP11B1TLR7
SCHEMBL21754340 0.81 CDK2 (0.35) AHRCYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL20557973 0.80 AHR (0.41) AHRCYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL20557924 0.80 CYP11B2 (0.34) AHRIDH1CYP11B2CYP11B1CYP17A1

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
CN-110831600-B Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2023-10-17 CN disclosed
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 AHR 1/4885IDH1 1026/4885CYP11B2 86/4885

“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.