SCHEMBL21754321

SCHEMBL21754321

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.49
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TLR7 Q9NYK1 12/20 0.32
CDK7 P50613 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 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
SCHEMBL21899463 0.88 AHR (0.40) AHRCYP11B1CYP11B2TLR7
SCHEMBL21899187 0.86 AHR (0.37) AHRCYP11B1CYP11B2CDK7CCNT1
SCHEMBL20558149 0.85 AHR (0.49) AHRCYP11B1CYP11B2TLR7CDK7
SCHEMBL29619215 0.85 AHR (0.49) AHRCYP11B1CYP11B2TLR7CDK7
SCHEMBL20541825 0.85 AHR (0.49) AHRCYP11B1CYP11B2TLR7CDK7
SCHEMBL22566888 0.84 CSNK1D (0.42) AHRCDK7KDM4EMEN1MAPT
SCHEMBL21899137 0.84 AHR (0.36) AHRCYP11B2CDK7CCNT1CDK1
SCHEMBL21754187 0.83 CYP11B2 (0.39) AHRCYP11B1CYP11B2TLR7KDM4E
SCHEMBL23771447 0.83 AHR (0.56) AHRCYP11B1CYP11B2TLR7CDK7
SCHEMBL21900690 0.83 AHR (0.38) AHRKDM4EMEN1KMT2ACDK2

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 7 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-11591339-B2 Solid forms of (R)-N-(2-(5-fluoropyridin-3-yl)-8-isopropylpyrazolo[ 1,5-a][1,3,5]triazin-4-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine maleate as aryl hydrocarbon receptor (AHR) inhibitors Ikena Oncology, Inc. (US) 2023-02-28 US disclosed
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 US disclosed
US-20210253579-A1 POLYMORPHIC COMPOUNDS AND USES THEREOF PAHR THERAPEUTICS, INC. 2021-08-19 US disclosed
US-10689388-B1 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-23 US disclosed
WO-2020081636-A1 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-04-23 WO 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 (5 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-11591339-B2 Solid forms of (R)-N-(2-(5-fluoropyridin-3-yl)-8-isopropylpyrazolo[ 1,5-a][1,3,5]triazin-4-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine maleate as aryl hydrocarbon receptor (AHR) inhibitors AHR, ARNT, CYP1A1 AHR 1/4885CYP11B1 381/4885CYP11B2 414/4885
US-10570138-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 AHR 1/4885CYP11B1 77/4885CYP11B2 86/4885
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 AHR 1/4885CYP11B1 77/4885CYP11B2 86/4885
US-10689388-B1 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 AHR 1/4885CYP11B1 77/4885CYP11B2 86/4885
US-20210253579-A1 POLYMORPHIC COMPOUNDS AND USES THEREOF AHR, ARNT, MTNR1B AHR 1/4885CYP11B1 11/4885CYP11B2 24/4885

“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.