SCHEMBL30345441

SCHEMBL30345441

Cn1c2c(cc(C(=O)Nc3ccc(F)cn3)c1=O)CC(C)(C)CC2

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 5/20 0.58
▸ GRM5 P41594 3/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ F10 P00742 2/20 0.40
▸ HTR1F P30939 2/20 0.40
▸ USP2 O75604 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ TSHR P16473 1/20 0.38

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
SCHEMBL26088597 1.00 AHR (0.58) AHRGRM5JAK2NTRK1F10
SCHEMBL26089554 0.92 AHR (0.60) AHRGRM5JAK2NTRK1F10
SCHEMBL30345440 0.92 AHR (0.60) AHRGRM5JAK2NTRK1F10
SCHEMBL26086549 0.78 AHR (0.64) AHRMEN1ALDH1A1MAPTHPGD
SCHEMBL26088078 0.78 AHR (0.66) AHRGRM5JAK2NTRK1F10
SCHEMBL30345457 0.78 AHR (0.66) AHRGRM5JAK2NTRK1F10
SCHEMBL26419324 0.78 AHR (0.66) AHRGRM5JAK2NTRK1F10
SCHEMBL26419319 0.78 AHR (0.66) AHRGRM5JAK2NTRK1F10
SCHEMBL26088824 0.76 NPC1 (0.46) AHRUSP2KDM4EMEN1ALDH1A1
SCHEMBL26086856 0.75 AHR (0.40) AHRHSD17B10KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037322-B2 AHR agonists ELI LILLY AND COMPANY (US) 2024-07-16 — — US disclosed
US-20230127797-A1 AHR AGONISTS ELI LILLY AND COMPANY 2023-04-27 — — US 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 (2 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-12037322-B2 AHR agonists AHR, ARNT, RORC AHR 1/4885GRM5 778/4885JAK2 646/4885
US-20230127797-A1 AHR AGONISTS AHR, ARNT, RORC AHR 1/4885GRM5 778/4885JAK2 646/4885

“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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