SCHEMBL29597385

SCHEMBL29597385

NC(=O)c1ccc(N2CCC(CN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)nn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.55
▸ BTK Q06187 4/20 0.54
▸ AR P10275 5/20 0.51
▸ IRAK1 P51617 1/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ IRAK3 Q9Y616 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ ITK Q08881 1/20 0.45
▸ DDB1 Q16531 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ HPGDS O60760 1/20 0.43
▸ IKZF3 Q9UKT9 1/20 0.43

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
SCHEMBL22566152 0.92 CRBN (0.53) CRBNBTKARIRAK1IRAK4
SCHEMBL29058484 0.89 CRBN (0.54) CRBNBTKARIRAK1IRAK4
SCHEMBL30488998 0.89 CRBN (0.54) CRBNBTKARIRAK1IRAK4
Trifluoroacetic Acid SCHEMBL29058487 0.89 CRBN (0.51) CRBNBTKARIRAK1IRAK4
SCHEMBL24299580 0.89 CRBN (0.59) CRBNBTKARIRAK1IRAK4
SCHEMBL31258560 0.88 AR (0.64) CRBNBTKARIRAK1IRAK4
SCHEMBL29058482 0.88 AR (0.51) CRBNBTKARIRAK1IRAK4
SCHEMBL29597621 0.87 BTK (0.56) CRBNBTKARIRAK1IRAK4
SCHEMBL23129059 0.86 CRBN (0.56) CRBNBTKARIRAK1IRAK4
SCHEMBL29597268 0.86 CRBN (0.62) CRBNBTKARIRAK1IRAK4

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-20230135173-A1 NOVEL SUBSTITUTED QUINOLINE-8-CARBONITRILE DERIVATIVES HAVING ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2023-05-04 — — US disclosed
US-20230091225-A1 Bifunctional chimeric heterocyclic compounds for targeted degradation of androgen receptors and use thereof HINOVA PHARMACEUTICALS INC. (CN) 2023-03-23 — — US disclosed
EP-4089083-A1 PIPERIDINE-2,6-DIONE SUBSTITUTED ISOINDOLES IN THE PREPARATION OF SUBSTITUTED QUINOLINE-8-CARBONITRILE DERIVATIVES HAVING ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF Accutar Biotechnology Inc. (US) 2022-11-16 — — EP disclosed
CN-113329999-B Novel substituted quinoline-8-carbonitrile derivatives having androgen receptor degrading activity and uses thereof 冰洲石生物科技公司 2022-07-01 — — CN disclosed
US-11312702-B2 Substituted quinoline-8-carbonitrile derivatives having androgen receptor degradation activity and uses thereof ACCUTAR BIOTECHNOLOGY INC. (US) 2022-04-26 — — 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 (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-20230091225-A1 Bifunctional chimeric heterocyclic compounds for targeted degradation of androgen receptors and use thereof AR, ADRM1, PSMA1 CRBN 618/4885BTK 4706/4885AR 1/4885
US-20230135173-A1 NOVEL SUBSTITUTED QUINOLINE-8-CARBONITRILE DERIVATIVES HAVING ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF AR, NR5A1, ESRRA CRBN 409/4885BTK 3888/4885AR 1/4885
US-11312702-B2 Substituted quinoline-8-carbonitrile derivatives having androgen receptor degradation activity and uses thereof AR, NR5A1, ESRRA CRBN 357/4885BTK 3959/4885AR 1/4885

“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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