SCHEMBL22101374

SCHEMBL22101374

N#CSc1cncc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC4 P56524 1/20 0.35
MYC P01106 1/20 0.34
WDR5 P61964 1/20 0.34
DAO P14920 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP3A5 P20815 1/20 0.32
CYP1A2 P05177 1/20 0.31
METAP2 P50579 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2C9 P11712 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31

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
SCHEMBL17422016 0.80 USP2 (0.38) CYP11B1CYP11B2ALDH1A1MYCWDR5
SCHEMBL12056721 0.78 CES2 (0.37) ALDH1A1MEN1KMT2AMYCWDR5
SCHEMBL3749196 0.72 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1HDAC4DAO
SCHEMBL13092195 0.72 TSHR (0.44) ALDH1A1KMT2A
SCHEMBL2749165 0.71 CYP1A2 (0.49) CYP11B1CYP11B2CYP3A4CYP3A5CYP1A2
SCHEMBL30133235 0.71 CYP1A2 (0.49) CYP11B1CYP11B2CYP3A4CYP3A5CYP1A2
SCHEMBL24566233 0.70 PTGS1 (0.33) ALDH1A1MYCWDR5SMN1; SMN2
SCHEMBL23302388 0.70 DAO (0.37) CYP11B1CYP11B2HDAC4DAOPRMT5
SCHEMBL19673820 0.70 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMYCWDR5
SCHEMBL2224716 0.68 IDH1 (0.35) CYP11B1CYP11B2ALDH1A1KMT2AHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2021-07-29 US disclosed
WO-2021127301-A1 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed
EP-3666772-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-06-17 EP 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-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 CYP11B1 159/4885CYP11B2 191/4885ALDH1A1 289/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 CYP11B1 159/4885CYP11B2 191/4885ALDH1A1 289/4885
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 CYP11B1 159/4885CYP11B2 191/4885ALDH1A1 289/4885

“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.