SCHEMBL23554236

SCHEMBL23554236

FC(F)(F)c1cccc(Nc2nc(-c3cncc(-c4csc(Nc5cccc(C(F)(F)F)c5)n4)c3)cs2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.72
MAPT P10636 8/20 0.62
KDM4E B2RXH2 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
MAPK1 P28482 4/20 0.61
KIT P10721 2/20 0.57
CFTR P13569 2/20 0.57
ALOX5 P09917 2/20 0.56
POLB P06746 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPC1 O15118 2/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 2/20 0.53
HTT P42858 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP1B1 Q16678 1/20 0.52

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
SCHEMBL23539338 0.93 VCP (0.67) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL12157929 0.93 VCP (0.67) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL23540215 0.92 VCP (0.76) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL30042349 0.92 VCP (0.65) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL23539816 0.92 VCP (0.65) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL23553605 0.92 VCP (0.65) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL23553606 0.92 VCP (0.65) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL17913960 0.91 VCP (0.71) VCPMAPTKDM4ENPSR1MAPK1
SCHEMBL23554237 0.91 VCP (0.64) VCPMAPTKDM4ENPSR1MAPK1
Bromide SCHEMBL1203805 0.91 VCP (0.64) VCPMAPTKDM4ENPSR1MAPK1

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 VCP 2673/4885MAPT 4673/4885KDM4E 2120/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 VCP 2673/4885MAPT 4673/4885KDM4E 2120/4885
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 VCP 2673/4885MAPT 4673/4885KDM4E 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.