SCHEMBL21855484

SCHEMBL21855484

Oc1nc(-c2cncc(F)c2)nc2c(N3CCOCC3)cnn12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.39
PIK3CG P48736 8/20 0.39
MTOR P42345 8/20 0.39
PDE10A Q9Y233 1/20 0.35
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
PIK3CB P42338 1/20 0.35
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
AHR P35869 1/20 0.33
GRIA1 P42261 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21855446 0.87 MTOR (0.38) PIK3CAPIK3CGMTORATRATRIP
SCHEMBL21855466 0.87 HRH4 (0.38) GSK3BDYRK1AAHRALDH1A1
SCHEMBL20542249 0.76 CYP11B2 (0.36) AHRMEN1ALDH1A1KMT2A
SCHEMBL30579319 0.76 CYP11B2 (0.36) AHRMEN1ALDH1A1KMT2A
SCHEMBL21855486 0.76 CYP11B2 (0.33) AHRMEN1KMT2A
SCHEMBL21855501 0.76 AHR (0.35) AHR
SCHEMBL21855494 0.74 HRH4 (0.39) DYRK1AAHRALDH1A1
SCHEMBL1309069 0.74 PIK3CA (0.55) PIK3CAPIK3CGMTORPIK3CB
SCHEMBL20558149 0.73 AHR (0.49) AHR
SCHEMBL20557838 0.73 AHR (0.33) AHR

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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 US disclosed
CN-113272305-A Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2021-08-17 CN 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 PIK3CA 3812/4885PIK3CG 4079/4885MTOR 4280/4885

“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.