SCHEMBL277304

SCHEMBL277304

CCOC(=O)c1ccncc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
NUDT1 P36639 1/20 0.51
TP53 P04637 1/20 0.48
CASP1 P29466 1/20 0.48
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MMP13 P45452 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM5A P29375 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
MAPT P10636 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45

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
SCHEMBL29837473 0.87 TSHR (0.60) TSHRNUDT1TP53CASP1CDC7
SCHEMBL3515887 0.87 TSHR (0.60) TSHRNUDT1TP53CASP1CDC7
SCHEMBL907851 0.86 SIRT3 (0.58) TSHRNUDT1TP53CASP1CDC7
SCHEMBL29570949 0.86 SIRT3 (0.58) TSHRNUDT1TP53CASP1CDC7
SCHEMBL13758656 0.84 TSHR (0.52) TSHRNUDT1TP53CASP1CDC7
SCHEMBL2568123 0.84 CA12 (0.56) TSHRNUDT1TP53CASP1CDC7
Ethane SCHEMBL28930003 0.84 SIRT3 (0.56) TSHRNUDT1TP53CASP1CDC7
SCHEMBL12447815 0.84 TSHR (0.52) TSHRNUDT1TP53CASP1CDC7
SCHEMBL14398405 0.83 TSHR (0.50) TSHRNUDT1TP53CASP1CDC7
Iodomethane SCHEMBL10841815 0.83 SIRT3 (0.54) TSHRNUDT1TP53CASP1CDC7

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217964-A1 QUINUCLIDINONE ANALOGUES AS ANTICANCER AGENTS NEWAVE PHARMACEUTICAL INC. 2024-07-04 US disclosed
CN-116034107-A Quinuclidinone analogs as anticancer agents 新波制药有限公司 2023-04-28 CN disclosed
US-20230089530-A1 QUINUCLIDINONE ANALOGUES AS ANTICANCER AGENTS NEWAVE PHARMACEUTICAL INC. 2023-03-23 US disclosed
EP-4100407-A1 QUINUCLIDINONE ANALOGUES AS ANTICANCER AGENTS Newave Pharmaceutical Inc. (US) 2022-12-14 EP disclosed
WO-2022204109-A1 QUINUCLIDINONE ANALOGUES AS ANTICANCER AGENTS NEWAVE PHARMACEUTICAL INC. (US) 2022-09-29 WO disclosed
WO-2021158948-A1 QUINUCLIDINONE ANALOGUES AS ANTICANCER AGENTS NEWAVE PHARMACEUTICAL INC. (US) 2021-08-12 WO disclosed
US-10377743-B2 Inhibitors of RAS and methods of use thereof ARAXES PHARMA LLC (US) 2019-08-13 US disclosed
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-05-10 US disclosed
CN-103237803-B Triazolopyridine compounds HOFFMAN-LA ROCHE LTD. (CH) 2016-04-13 CN disclosed
CN-104684913-A Tris(hetero)arylpyrazoles and use thereof AICURIS GMBH & CO KG 2015-06-03 CN disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1404672-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2004-04-07 EP disclosed
US-20030100567-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2003-05-29 US disclosed
WO-2003000687-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-01-03 WO disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP disclosed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 EP disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 EP 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 (5 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-20230089530-A1 QUINUCLIDINONE ANALOGUES AS ANTICANCER AGENTS NQO2, CNKSR1, NQO1 TSHR 2740/4885NUDT1 491/4885TP53 58/4885
US-10377743-B2 Inhibitors of RAS and methods of use thereof KRAS, NRAS, HRAS TSHR 2524/4885NUDT1 1171/4885TP53 22/4885
US-20240217964-A1 QUINUCLIDINONE ANALOGUES AS ANTICANCER AGENTS NQO2, PRMT1, PRMT7 TSHR 1187/4885NUDT1 392/4885TP53 107/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS TSHR 2663/4885NUDT1 1446/4885TP53 20/4885
US-20030100567-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 TSHR 1987/4885NUDT1 3691/4885TP53 579/4885

“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.