SCHEMBL23554113

SCHEMBL23554113

CN(C)CCNC(=O)Nc1cccc(-c2csc(N(C(=O)OC(C)(C)C)c3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.40
PTPRB P23467 1/20 0.39
BRAF P15056 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
IGF1R P08069 2/20 0.39
UCHL1 P09936 2/20 0.39
TRPV4 Q9HBA0 1/20 0.39
RAF1 P04049 3/20 0.38
GAA P10253 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
USP30 Q70CQ3 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL23553756 0.88 HDAC3 (0.42) MAPTMAPK1PTPRBBRAFHDAC3
SCHEMBL30299290 0.86 MAPT (0.45) MAPTMAPK1PTPRBBRAFHDAC3
SCHEMBL23554114 0.83 MAPT (0.42) MAPTMAPK1PTPRBHDAC3HDAC1
SCHEMBL23672549 0.82 UCHL1 (0.41) MAPTMAPK1PTPRBHDAC1HDAC8
SCHEMBL30299297 0.80 ALDH1A1 (0.42) MAPTMAPK1PTPRBUCHL1TRPV4
SCHEMBL23539332 0.80 ALDH1A1 (0.42) MAPTMAPK1PTPRBUCHL1TRPV4
SCHEMBL23539288 0.79 MAPT (0.65) MAPTMAPK1GAAKDM4E
SCHEMBL23554133 0.79 UCHL1 (0.43) MAPTMAPK1PTPRBUCHL1TRPV4
SCHEMBL30299326 0.79 UCHL1 (0.43) MAPTMAPK1PTPRBUCHL1TRPV4
SCHEMBL23554241 0.79 GRM1 (0.45) MAPTMAPK1PTPRBUCHL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250011315-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF PRISM MEDICINES, INC. 2025-01-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
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-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-11608329-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2023-03-21 US disclosed
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2021-07-29 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

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-20250011315-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 MAPT 4673/4885MAPK1 3907/4885ATM 3956/4885
US-11608329-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 MAPT 4673/4885MAPK1 3907/4885ATM 3956/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 MAPT 4673/4885MAPK1 3907/4885ATM 3956/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 MAPT 4673/4885MAPK1 3907/4885ATM 3956/4885
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 MAPT 4673/4885MAPK1 3907/4885ATM 3956/4885

“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.