SCHEMBL26088236

SCHEMBL26088236

CC1CCc2c1cc(C(=O)Nc1ncccn1)c(=O)n2C

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 9/20 0.64
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 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
▸ CNR2 P34972 6/20 0.36
▸ PIK3CA P42336 1/20 0.34
▸ CNR1 P21554 3/20 0.34
▸ DHODH Q02127 1/20 0.33

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
SCHEMBL26419389 1.00 AHR (0.64) AHRKDM4ENPC1ALDH1A1LMNA
SCHEMBL26419395 1.00 AHR (0.64) AHRKDM4ENPC1ALDH1A1LMNA
SCHEMBL26089047 0.88 AHR (0.70) AHRLMNANLRP3CNR2CNR1
SCHEMBL26086751 0.88 AHR (0.70) AHRLMNANLRP3CNR2CNR1
SCHEMBL26089802 0.88 AHR (0.64) AHRRAB9A
SCHEMBL26088624 0.88 AHR (0.64) AHRRAB9A
SCHEMBL26087025 0.88 AHR (0.70) AHRLMNANLRP3CNR2CNR1
SCHEMBL26086628 0.87 AHR (0.63) AHRKDM4ENPC1ALDH1A1LMNA
SCHEMBL26088439 0.87 AHR (0.63) AHRKDM4ENPC1ALDH1A1LMNA
SCHEMBL26086770 0.85 AHR (0.63) AHR

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 1/4885KDM4E 1656/4885NPC1 1273/4885
US-20230127797-A1 AHR AGONISTS AHR, ARNT, RORC AHR 1/4885KDM4E 1656/4885NPC1 1273/4885

“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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