SCHEMBL21155200

SCHEMBL21155200

CC(C)(C)N1CCC[C@@H](c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.67
PARP2 Q9UGN5 11/20 0.67
PARP3 Q9Y6F1 11/20 0.67
TNKS O95271 1/20 0.67
CHRM2 P08172 1/20 0.67
CHRM1 P11229 1/20 0.67
SLC6A2 P23975 1/20 0.67
SLC6A4 P31645 1/20 0.67
ADRA1A P35348 1/20 0.67
SLC6A3 Q01959 1/20 0.67
KCNH2 Q12809 1/20 0.67
DYRK1A Q13627 1/20 0.67
PARP15 Q460N3 1/20 0.67
PARP14 Q460N5 1/20 0.67
PARP10 Q53GL7 1/20 0.67
PARP12 Q9H0J9 1/20 0.67
TNKS2 Q9H2K2 1/20 0.67
PARP4 Q9UKK3 1/20 0.67
DYRK1B Q9Y463 1/20 0.67
HRH3 Q9Y5N1 1/20 0.67

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
SCHEMBL26159121 1.00 PARP1 (0.67) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL24302313 0.91 PARP1 (0.62) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL26196985 0.90 PARP1 (0.54) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL21036416 0.88 PARP1 (0.69) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL24301101 0.88 PARP1 (0.69) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL24235609 0.88 PARP1 (0.69) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL24950168 0.86 PARP1 (0.67) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL25938739 0.86 PARP1 (0.67) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL23854758 0.86 PARP1 (0.61) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL1421856 0.86 PARP1 (0.61) PARP1PARP2PARP3TNKSCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270874-A1 ANTIBODY DRUG CONJUGATE LOADED WITH BINARY TOXINS AND ITS APPLICATION MABPLEX INTERNATIONAL CO., LTD. (CN) 2023-08-31 US disclosed
US-20230158152-A1 PROTEOLYSIS REGULATOR AND METHOD FOR USING SAME MEDSHINE DISCOVERY INC. (CN) 2023-05-25 US disclosed
US-20230158152-A1 PROTEOLYSIS REGULATOR AND METHOD FOR USING SAME MEDSHINE DISCOVERY INC. (CN) 2023-05-25 US disclosed
US-20220117982-A1 TARGET PROTEIN DEGRADATION COMPOUNDS, THEIR ANTI-TUMOR USE, THEIR INTERMEDIATES AND USE OF INTERMEDIATES SHANGHAITECH UNIVERSITY (CN) 2022-04-21 US disclosed
US-20210299137-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATMENT OF DISEASES INVOLVING ACIDIC OR HYPOXIC DISEASED TISSUES CYBREXA 1, INC. 2021-09-30 US disclosed
US-10933069-B2 Compounds, compositions, and methods for treatment of diseases involving acidic or hypoxic diseased tissues CYBREXA 1, INC. (US) 2021-03-02 US disclosed
US-20190209580-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATMENT OF DISEASES INVOLVING ACIDIC OR HYPOXIC DISEASED TISSUES CYBREXA 1, INC. 2019-07-11 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-20230158152-A1 PROTEOLYSIS REGULATOR AND METHOD FOR USING SAME PSMA6, PSMC1, PSMA1 PARP1 1313/4885PARP2 1875/4885PARP3 849/4885
US-20230270874-A1 ANTIBODY DRUG CONJUGATE LOADED WITH BINARY TOXINS AND ITS APPLICATION MMAB, TNFSF10, CD47 PARP1 1463/4885PARP2 1105/4885PARP3 664/4885
US-20210299137-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATMENT OF DISEASES INVOLVING ACIDIC OR HYPOXIC DISEASED TISSUES HIF1A, HIF1AN, VHL PARP1 1881/4885PARP2 1429/4885PARP3 2265/4885
US-20220117982-A1 TARGET PROTEIN DEGRADATION COMPOUNDS, THEIR ANTI-TUMOR USE, THEIR INTERMEDIATES AND USE OF INTERMEDIATES UFM1, SUMO1, SUMO2 PARP1 1787/4885PARP2 1818/4885PARP3 1005/4885
US-10933069-B2 Compounds, compositions, and methods for treatment of diseases involving acidic or hypoxic diseased tissues HIF1A, HIF1AN, VHL PARP1 1881/4885PARP2 1429/4885PARP3 2265/4885
US-20190209580-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATMENT OF DISEASES INVOLVING ACIDIC OR HYPOXIC DISEASED TISSUES HIF1A, HIF1AN, VHL PARP1 1881/4885PARP2 1429/4885PARP3 2265/4885

“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.