SCHEMBL600594

SCHEMBL600594

O=C1c2ccccc2C(=O)N1[C@H]1CC[C@H](O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 5/20 0.45
CHRM2 P08172 1/20 0.45
OPRM1 P35372 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
IKZF3 Q9UKT9 1/20 0.45
CYP1A2 P05177 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL29466571 1.00 TSHR (0.51) TSHRKMT2AL3MBTL1LMNAGAA
SCHEMBL1065078 1.00 TSHR (0.51) TSHRKMT2AL3MBTL1LMNAGAA
SCHEMBL240719 1.00 TSHR (0.51) TSHRKMT2AL3MBTL1LMNAGAA
SCHEMBL2665681 0.90 L3MBTL1 (0.54) TSHRKMT2AL3MBTL1LMNAGAA
SCHEMBL9625796 0.90 L3MBTL1 (0.54) TSHRKMT2AL3MBTL1LMNAGAA
SCHEMBL15726196 0.89 TSHR (0.46) TSHRKMT2AL3MBTL1LMNAGAA
SCHEMBL15726193 0.89 TSHR (0.46) TSHRKMT2AL3MBTL1LMNAGAA
SCHEMBL11542774 0.84 ERCC1 (0.51) KMT2AALDH1A1CYP1A2MEN1KDM4E
SCHEMBL11537599 0.84 ERCC1 (0.51) KMT2AALDH1A1CYP1A2MEN1KDM4E
SCHEMBL11537593 0.84 ERCC1 (0.51) KMT2AALDH1A1CYP1A2MEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12251387-B2 Substituted quinoxalines and benzo[c][1,2,5]oxadiazoles as DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-03-18 US disclosed
WO-2024245310-A1 THIAZOLYL OR THIADIAZOLYL AMIDES DERIVATIVES AND USE THEREOF NINGBO NEWBAY TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2024-12-05 WO disclosed
EP-3740479-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2024-11-20 EP disclosed
US-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2024-10-29 US disclosed
US-12121524-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-10-22 US disclosed
EP-4328223-A2 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2024-02-28 EP disclosed
CN-111741955-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2024-02-23 CN disclosed
US-11813267-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-14 US disclosed
US-11813267-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-14 US disclosed
US-11813267-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-14 US disclosed
US-20060270609-A1 Inhibitors for the soluble epoxide hydrolase REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-11-30 US disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed
WO-2006045119-A9 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE UNIV CALIFORNIA (US) 2006-05-26 WO disclosed
EP-1656379-A1 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2006-05-17 EP disclosed
WO-2006045119-A2 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-04-27 WO disclosed
US-20050054658-A1 4-Cycloalkylaminopyrazolo pyrimidine NMDA/NR2B antagonists THOMPSON WAYNE (US) 2005-03-10 US disclosed
WO-2005019221-A1 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2005-03-03 WO disclosed
WO-2005019222-A1 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2005-03-03 WO disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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 (7 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-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 TSHR 3581/4885KMT2A 2123/4885L3MBTL1 2018/4885
US-11813267-B2 DNA-PK inhibitors POLK, DTYMK, DCK TSHR 4282/4885KMT2A 1053/4885L3MBTL1 2098/4885
US-12121524-B2 DNA-PK inhibitors POLK, DTYMK, DCK TSHR 4246/4885KMT2A 1065/4885L3MBTL1 2056/4885
US-20060270609-A1 Inhibitors for the soluble epoxide hydrolase EPHX1, EPHX2, NCEH1 TSHR 3705/4885KMT2A 2899/4885L3MBTL1 3495/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA TSHR 2487/4885KMT2A 2296/4885L3MBTL1 1142/4885
US-12251387-B2 Substituted quinoxalines and benzo[c][1,2,5]oxadiazoles as DNA-PK inhibitors TOP1, TOP2A, TOP2B TSHR 4108/4885KMT2A 1090/4885L3MBTL1 2984/4885
US-20050054658-A1 4-Cycloalkylaminopyrazolo pyrimidine NMDA/NR2B antagonists GRIN2B, GRIN1, GRIN2A TSHR 2076/4885KMT2A 1370/4885L3MBTL1 3865/4885

“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.