SCHEMBL26089593

SCHEMBL26089593

Cn1c2c(cc(C(=O)Nc3ncccn3)c1=O)C(C)(C)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 10/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ DHODH Q02127 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ USP2 O75604 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL26086739 0.88 AHR (0.43) AHRKDM4EALDH1A1LMNANLRP3
SCHEMBL26088324 0.78 AHR (0.47) AHRKDM4EALDH1A1NPC1LMNA
SCHEMBL26419389 0.74 AHR (0.64) AHRKDM4EALDH1A1NPC1LMNA
SCHEMBL26088236 0.74 AHR (0.64) AHRKDM4EALDH1A1NPC1LMNA
SCHEMBL26419395 0.74 AHR (0.64) AHRKDM4EALDH1A1NPC1LMNA
SCHEMBL26086876 0.73 AHR (0.69) AHRKDM4EALDH1A1NPC1LMNA
SCHEMBL25236636 0.69 AHR (0.67) AHRKDM4EALDH1A1NPC1LMNA
SCHEMBL30395114 0.69 AHR (0.67) AHRKDM4EALDH1A1NPC1LMNA
SCHEMBL26088824 0.65 NPC1 (0.46) AHRKDM4EALDH1A1NPC1LMNA
SCHEMBL26086549 0.65 AHR (0.64) AHRALDH1A1NPC1TP53RAB9A

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 6 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-12037322-B2 AHR agonists ELI LILLY AND COMPANY (US) 2024-07-16 — — US disclosed
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
US-20230127797-A1 AHR AGONISTS ELI LILLY AND COMPANY 2023-04-27 — — 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 1/4885KDM4E 1656/4885ALDH1A1 724/4885
US-20230127797-A1 AHR AGONISTS AHR, ARNT, RORC AHR 1/4885KDM4E 1656/4885ALDH1A1 724/4885

“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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