SCHEMBL30484040

SCHEMBL30484040

CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)[nH]c2ncnc(Cl)c23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ CDK9 P50750 4/20 0.45
▸ CDK7 P50613 1/20 0.44
▸ CDK13 Q14004 1/20 0.44
▸ CDK12 Q9NYV4 1/20 0.44
▸ CCNT1 O60563 1/20 0.44
▸ SOS1 Q07889 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ GABRP O00591 1/20 0.43
▸ GABRD O14764 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ GABRA4 P48169 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
SCHEMBL30484047 0.91 TBK1 (0.41) NAMPTCNR1CDK9CCNT1GABRP
SCHEMBL25831072 0.91 TBK1 (0.41) NAMPTCNR1CDK9CCNT1GABRP
SCHEMBL25262518 0.86 LIMK1 (0.41) CNR1
SCHEMBL25830945 0.86 BRD4 (0.48) NAMPTCNR1CDK9CDK7CDK13
SCHEMBL30484036 0.86 BRD4 (0.48) NAMPTCNR1CDK9CDK7CDK13
SCHEMBL5005001 0.79 CCNT1 (0.58) CNR1CDK9CCNT1JAK1KIT
SCHEMBL30484043 0.79 CNR1 (0.48) NAMPTCNR1CDK9CDK7CDK13
SCHEMBL31017627 0.79 CNR1 (0.48) NAMPTCNR1CDK9CDK7CDK13
SCHEMBL30178579 0.78 CNR1 (0.51) NAMPTCNR1CDK9CDK7CDK13
SCHEMBL27098560 0.77 GRM1 (0.48) NAMPTCNR1CDK9CDK7CDK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240366770-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE SWITZERLAND GMBH (CH) 2024-11-07 — — US disclosed
EP-4457230-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BeiGene Switzerland GmbH (CH) 2024-11-06 — — EP disclosed
CN-118414336-A Degradation of Bruton Tyrosine Kinase (BTK) by conjugation of BTK inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2024-07-30 — — CN disclosed
WO-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 — — WO 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 (1 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-20240366770-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BTK, CBL, LYN NAMPT 3545/4885CNR1 4181/4885CDK9 1027/4885

“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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