SCHEMBL30295559

SCHEMBL30295559

Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2ccc(Br)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 11/20 1.00
▸ CCNB1 P14635 10/20 1.00
▸ CCNB2 O95067 9/20 1.00
▸ CCNB3 Q8WWL7 9/20 1.00
▸ GSK3B P49841 12/20 0.63
▸ GSK3A P49840 10/20 0.63
▸ CDK5 Q00535 9/20 0.63
▸ CDK5R1 Q15078 9/20 0.63
▸ ALOX5 P09917 4/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ NPC1 O15118 2/20 0.63
▸ USP2 O75604 2/20 0.63
▸ LMNA P02545 2/20 0.63
▸ TP53 P04637 2/20 0.63
▸ CYP3A4 P08684 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ PKM P14618 2/20 0.63
▸ NFKB1 P19838 2/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ THPO P40225 2/20 0.63

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
SCHEMBL31307772 0.79 GSK3B (0.75) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL29361130 0.77 GSK3B (1.00) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL30319828 0.76 CDK5R1 (1.00) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL12413918 0.69 CCNB2 (0.53) CDK1CCNB1CCNB2CCNB3MEN1
Indirubin-3-Monoxime SCHEMBL29354191 0.69 CDK5R1 (1.00) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL30278941 0.66 GSK3B (1.00) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL29484209 0.64 GSK3B (1.00) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL30319818 0.64 GSK3B (0.83) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL29924508 0.63 GSK3B (0.72) CDK1CCNB1CCNB2CCNB3GSK3B
SCHEMBL8011931 0.63 GPR3 (0.64) CDK1CCNB1CCNB2CCNB3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11596657-B2 Use of AhR agonist for the preventive or curative treatment of metabolic syndrome and the associated disorders INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (FR) 2023-03-07 — — US claimed
US-12516022-B2 Derivatives of aryl hydrocarbon receptor agonists AZORA THERAPEUTICS, INC. (US) 2026-01-06 — — US disclosed
EP-4412991-A1 DERIVATIVES OF ARYL HYDROCARBON RECEPTOR AGONISTS AZORA THERAPEUTICS, INC. (US) 2024-08-14 — — EP disclosed
US-20240182416-A1 DERIVATIVES OF ARYL HYDROCARBON RECEPTOR AGONISTS AZORA THERAPEUTICS, INC. 2024-06-06 — — US disclosed
US-11834412-B2 Derivatives of aryl hydrocarbon receptor agonists AZORA THERAPEUTICS, INC. (US) 2023-12-05 — — US disclosed
US-20230227408-A1 DERIVATIVES OF ARYL HYDROCARBON RECEPTOR AGONISTS AZORA THERAPEUTICS, INC. 2023-07-20 — — US disclosed
WO-2023060268-A1 DERIVATIVES OF ARYL HYDROCARBON RECEPTOR AGONISTS AZORA THERAPEUTICS, INC. (US) 2023-04-13 — — WO disclosed
EP-4114420-A1 COPROCOCCUS BACTERIA FOR USE IN THE TREATMENT OF METABOLIC SYNDROME AND INFLAMMATORY BOWEL DISEASES Institut national de recherche pour l'agriculture, l'alimentation et l'environnement (FR) 2023-01-11 — — EP 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 (3 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-20230227408-A1 DERIVATIVES OF ARYL HYDROCARBON RECEPTOR AGONISTS AHR, ARNT, NR4A1 CDK1 3473/4885CCNB1 2659/4885CCNB2 3335/4885
US-11834412-B2 Derivatives of aryl hydrocarbon receptor agonists AHR, ARNT, NR4A1 CDK1 3473/4885CCNB1 2659/4885CCNB2 3335/4885
US-20240182416-A1 DERIVATIVES OF ARYL HYDROCARBON RECEPTOR AGONISTS AHR, ARNT, NR4A1 CDK1 3473/4885CCNB1 2659/4885CCNB2 3335/4885

“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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