SCHEMBL29597621

SCHEMBL29597621

NC(=O)c1ccc(N2CCC(CN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.56
▸ CRBN Q96SW2 15/20 0.54
▸ AR P10275 4/20 0.53
▸ HPGDS O60760 1/20 0.49
▸ IRAK1 P51617 1/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.48
▸ IRAK3 Q9Y616 1/20 0.48
▸ EGFR P00533 2/20 0.47
▸ CDK9 P50750 1/20 0.46
▸ ITK Q08881 1/20 0.46
▸ PLK4 O00444 1/20 0.45
▸ DDB1 Q16531 2/20 0.44

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
SCHEMBL22645447 0.93 CRBN (0.55) BTKCRBNARHPGDSIRAK1
SCHEMBL29596415 0.91 CRBN (0.56) BTKCRBNARHPGDSIRAK1
SCHEMBL29597268 0.91 CRBN (0.62) BTKCRBNARHPGDSIRAK1
SCHEMBL23117898 0.89 CRBN (0.58) BTKCRBNARHPGDSIRAK1
SCHEMBL29822185 0.89 CRBN (0.58) BTKCRBNARHPGDSIRAK1
SCHEMBL22645400 0.89 CRBN (0.54) BTKCRBNARHPGDSIRAK1
SCHEMBL23129054 0.89 CRBN (0.55) BTKCRBNARHPGDSIRAK1
SCHEMBL24030050 0.88 CRBN (0.55) BTKCRBNARHPGDSIRAK1
SCHEMBL29596744 0.87 CRBN (0.56) BTKCRBN
SCHEMBL29597385 0.87 CRBN (0.55) BTKCRBNARHPGDSIRAK1

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
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 claimed
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
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 (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-20230135173-A1 NOVEL SUBSTITUTED QUINOLINE-8-CARBONITRILE DERIVATIVES HAVING ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF AR, NR5A1, ESRRA BTK 3888/4885CRBN 409/4885AR 1/4885
US-11312702-B2 Substituted quinoline-8-carbonitrile derivatives having androgen receptor degradation activity and uses thereof AR, NR5A1, ESRRA BTK 3959/4885CRBN 357/4885AR 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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