SCHEMBL20470563

SCHEMBL20470563

O=C(Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2n1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 5/20 0.47
▸ KIT P10721 1/20 0.46
▸ PIK3C3 Q8NEB9 3/20 0.46
▸ FFAR1 O14842 1/20 0.41
▸ TLR7 Q9NYK1 2/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ RIPK1 Q13546 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ STK33 Q9BYT3 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL20463389 0.83 PIK3C3 (0.46) GRM4KITPIK3C3FFAR1TLR7
SCHEMBL29890655 0.83 NPC1 (0.45) KITFFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL20455626 0.83 NPC1 (0.45) KITFFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL29892155 0.83 KIT (0.46) KITPIK3C3FFAR1NPC1RAB9A
SCHEMBL22829293 0.83 KIT (0.46) KITPIK3C3FFAR1NPC1RAB9A
SCHEMBL20470675 0.82 ALDH1A1 (0.46) KITNPC1RAB9ASMN1; SMN2STK33
SCHEMBL21629662 0.82 GRM4 (0.57) GRM4KITFFAR1NPC1RAB9A
SCHEMBL20470566 0.82 KIT (0.43) KITPIK3C3FFAR1CTNNB1WNT3A
SCHEMBL21657818 0.81 KIT (0.46) KITPIK3C3FFAR1HDAC3HDAC7
SCHEMBL29890825 0.81 SCN10A (0.52) KITPIK3C3FFAR1NPC1RAB9A

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
CN-110248940-B Aryl hydrocarbon receptor (AhR) modulator compounds 菲尼克斯药品股份公司 2022-07-01 — — CN disclosed
US-10981908-B2 Aryl hydrocarbon receptor (AHR) modulator compounds PHENEX PHARMACEUTICALS AG (DE) 2021-04-20 — — US disclosed
US-10981908-B2 Aryl hydrocarbon receptor (AHR) modulator compounds PHENEX PHARMACEUTICALS AG (DE) 2021-04-20 — — US disclosed
EP-3577112-B1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2020-12-30 — — EP disclosed
WO-2018141857-A1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2018-08-09 — — 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 (1 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-10981908-B2 Aryl hydrocarbon receptor (AHR) modulator compounds AHR, ARNT, NR1H2 GRM4 1712/4885KIT 2587/4885PIK3C3 3889/4885

“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.

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