SCHEMBL23554207

SCHEMBL23554207

CC(C)c1cncc(NC(=O)Nc2cncc(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 5/20 0.55
NPSR1 Q6W5P4 2/20 0.55
VCP P55072 1/20 0.52
POLB P06746 1/20 0.50
CFTR P13569 2/20 0.49
KIT P10721 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NTRK1 P04629 1/20 0.43

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
SCHEMBL23539994 0.92 MAPT (0.65) MAPTMAPK1KDM4ENPSR1VCP
SCHEMBL23554189 0.90 VCP (0.57) MAPTMAPK1KDM4ENPSR1VCP
SCHEMBL29042379 0.85 MAPT (0.64) MAPTMAPK1KDM4ENPSR1VCP
SCHEMBL23554237 0.81 VCP (0.64) MAPTMAPK1KDM4ENPSR1VCP
SCHEMBL23539338 0.81 VCP (0.67) MAPTMAPK1KDM4ENPSR1VCP
SCHEMBL23554236 0.81 VCP (0.72) MAPTMAPK1KDM4ENPSR1VCP
SCHEMBL23691136 0.79 VCP (0.61) MAPTMAPK1KDM4ENPSR1VCP
SCHEMBL23554034 0.79 CFTR (0.71) MAPTMAPK1KDM4ENPSR1VCP
SCHEMBL23539410 0.79 MAPT (0.65) MAPTMAPK1KDM4ENPSR1VCP
SCHEMBL23539706 0.78 MAPT (0.62) MAPTMAPK1KDM4ENPSR1VCP

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 4 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

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 MAPT 4673/4885MAPK1 3907/4885KDM4E 2120/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 MAPT 4673/4885MAPK1 3907/4885KDM4E 2120/4885
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 MAPT 4673/4885MAPK1 3907/4885KDM4E 2120/4885

“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.