SCHEMBL20470587

SCHEMBL20470587

Cn1nc(C(N)=O)cc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 7/20 0.43
▸ SCN10A Q9Y5Y9 3/20 0.43
▸ KIT P10721 1/20 0.43
▸ PIK3C3 Q8NEB9 4/20 0.40
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL29891733 0.92 KIT (0.43) SCN10AKITPIK3C3FFAR1MEN1
SCHEMBL20455592 0.92 KIT (0.43) SCN10AKITPIK3C3FFAR1MEN1
SCHEMBL29890757 0.90 KIT (0.42) SCN10AKITPIK3C3FFAR1MEN1
SCHEMBL20470686 0.90 KIT (0.42) SCN10AKITPIK3C3FFAR1MEN1
SCHEMBL20455624 0.90 KIT (0.42) SCN10AKITPIK3C3FFAR1MEN1
SCHEMBL29890825 0.83 SCN10A (0.52) SCN9ASCN10AKITPIK3C3FFAR1
SCHEMBL20470585 0.83 SCN10A (0.52) SCN9ASCN10AKITPIK3C3FFAR1
SCHEMBL29890810 0.81 KIT (0.45) SCN9ASCN10AKITPIK3C3FFAR1
SCHEMBL20470582 0.81 KIT (0.45) SCN9ASCN10AKITPIK3C3FFAR1
SCHEMBL20470563 0.80 GRM4 (0.47) KITPIK3C3FFAR1

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-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
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 SCN9A 4074/4885SCN10A 2910/4885KIT 2587/4885

“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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