SCHEMBL21754340

SCHEMBL21754340

Fc1cncc(-c2nc(Cl)n3ncc(Br)c3n2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.35
CHEK1 O14757 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
CYP11B2 P19099 9/20 0.34
CYP11B1 P15538 8/20 0.34
CYP17A1 P05093 2/20 0.33
CYP3A4 P08684 1/20 0.33
AHR P35869 1/20 0.33
GSK3B P49841 3/20 0.33
CYP19A1 P11511 2/20 0.32
ADRA2B P18089 1/20 0.32
PIM1 P11309 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
MAPKAPK2 P49137 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
SCHEMBL21855471 0.84 AHR (0.35) CYP11B2CYP11B1CYP17A1CYP3A4AHR
SCHEMBL20542084 0.84 CYP11B2 (0.36) CYP11B2CYP11B1CYP17A1CYP3A4AHR
SCHEMBL20557664 0.81 AHR (0.33) CYP11B2CYP11B1CYP17A1CYP3A4AHR
SCHEMBL21899482 0.81 AHR (0.35) CYP11B2CYP11B1CYP17A1CYP3A4AHR
SCHEMBL20557924 0.81 CYP11B2 (0.34) CYP11B2CYP11B1CYP17A1CYP3A4AHR
SCHEMBL24966052 0.81 AHR (0.41) CDK2CHEK1CCNA2CCNA1CYP11B2
SCHEMBL22566871 0.81 CYP11B2 (0.34) CYP11B2CYP11B1CYP17A1CYP3A4AHR
SCHEMBL20541825 0.81 AHR (0.49) CDK2CYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL29619215 0.81 AHR (0.49) CDK2CYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL21855500 0.79 POLB (0.33) CYP11B2CYP11B1CYP17A1CYP3A4AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2023-01-26 US disclosed
US-10689388-B1 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-23 US disclosed
US-10570138-B2 Indole AHR inhibitors and uses thereof KYN THERAPEUTICS (US) 2020-02-25 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 (3 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-10570138-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 CDK2 1444/4885CHEK1 3921/4885CCNA2 3306/4885
US-10689388-B1 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 CDK2 1444/4885CHEK1 3921/4885CCNA2 3306/4885
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 CDK2 1444/4885CHEK1 3921/4885CCNA2 3306/4885

“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.