SCHEMBL517615

SCHEMBL517615

COc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 15/20 0.53
CFTR P13569 1/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
KDM4D Q6B0I6 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 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
SCHEMBL29435443 1.00 SUV39H2 (0.53) SUV39H2CFTRCKS1BSKP1SKP2
SCHEMBL14892758 0.89 CKS1B (0.48) SUV39H2CKS1BSKP1SKP2HDAC3
SCHEMBL28543055 0.87 MAP4K4 (0.52) SUV39H2
SCHEMBL28543056 0.87 MAP4K4 (0.52) SUV39H2
SCHEMBL517585 0.85 LGMN (0.46) SUV39H2
SCHEMBL3130708 0.83 CKS1B (0.52) SUV39H2CKS1BSKP1SKP2
SCHEMBL517443 0.83 ALDH1A1 (0.58) SUV39H2CKS1BSKP1SKP2KDM4D
SCHEMBL517675 0.82 SUV39H2 (0.45) SUV39H2CFTRCKS1BSKP1SKP2
SCHEMBL30560346 0.82 DRD2 (0.41)
SCHEMBL26452282 0.81 CKS1B (0.51) SUV39H2CKS1BSKP1SKP2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771709-B2 ALK protein degradation agent and anti-tumor application thereof SHANGHAITECH UNIVERSITY (CN) 2023-10-03 US disclosed
US-11771709-B2 ALK protein degradation agent and anti-tumor application thereof SHANGHAITECH UNIVERSITY (CN) 2023-10-03 US disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
US-11253516-B2 N2,N4-diphenylpyrimidine-2,4-diamine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of cancer KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-02-22 US disclosed
WO-2022012622-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-01-20 WO disclosed
WO-2020249048-A1 ALK PROTEIN REGULATOR AND ANTI-TUMOR APPLICATION THEREOF 上海科技大学 2020-12-17 WO disclosed
EP-3725771-A1 ALK PROTEIN DEGRADATION AGENT AND ANTI-TUMOR APPLICATION THEREOF Shanghaitech University (CN) 2020-10-21 EP disclosed
US-20200306273-A1 ALK PROTEIN DEGRADATION AGENT AND ANTI-TUMOR APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2020-10-01 US disclosed
US-20200179384-A1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-06-11 US disclosed
WO-2019114770-A1 ALK PROTEIN DEGRADATION AGENT AND ANTI-TUMOR APPLICATION THEREOF 上海科技大学 2019-06-20 WO disclosed
EP-2601186-A2 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 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 (6 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-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 SUV39H2 2755/4885CFTR 3764/4885CKS1B 318/4885
US-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 SUV39H2 2407/4885CFTR 1516/4885CKS1B 157/4885
US-20200179384-A1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER FLT3, EGFR, ERBB2 SUV39H2 3453/4885CFTR 2433/4885CKS1B 178/4885
US-20200306273-A1 ALK PROTEIN DEGRADATION AGENT AND ANTI-TUMOR APPLICATION THEREOF ADRM1, VHL, MDM2 SUV39H2 1026/4885CFTR 3982/4885CKS1B 276/4885
US-11771709-B2 ALK protein degradation agent and anti-tumor application thereof ADRM1, VHL, MDM2 SUV39H2 1026/4885CFTR 3982/4885CKS1B 276/4885
US-11253516-B2 N2,N4-diphenylpyrimidine-2,4-diamine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of cancer FLT3, EGFR, ERBB2 SUV39H2 3453/4885CFTR 2433/4885CKS1B 178/4885

“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.