SCHEMBL4000055

SCHEMBL4000055

COC(=O)c1cc(C(=O)OC)ncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
LCK P06239 1/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 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
SCHEMBL29509647 0.92 MAPK1 (0.49) MAPK1LCKKDM4EALDH1A1L3MBTL1
SCHEMBL4000060 0.92 MAPK1 (0.49) MAPK1LCKKDM4EALDH1A1L3MBTL1
SCHEMBL25446545 0.92 MAPK1 (0.43) MAPK1LCKKDM4EALDH1A1GABRP
SCHEMBL22462518 0.90 MAPK1 (0.42) MAPK1LCKKDM4EALDH1A1GABRP
SCHEMBL17979291 0.87 LCK (0.45) MAPK1LCKKDM4EALDH1A1GABRP
SCHEMBL2054682 0.87 MAPK1 (0.43) MAPK1LCKKDM4EALDH1A1GABRP
SCHEMBL3716193 0.86 ALDH1A1 (0.48) MAPK1LCKKDM4EALDH1A1GABRP
SCHEMBL792511 0.86 MAPK1 (0.42) MAPK1LCKKDM4EALDH1A1GABRP
SCHEMBL2130286 0.86 ALDH1A1 (0.44) MAPK1LCKKDM4EALDH1A1GABRP
SCHEMBL18125980 0.86 MAPK1 (0.42) MAPK1LCKKDM4EALDH1A1GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891386-B2 Indole compounds and their use ARIAGEN, INC. (CA) 2024-02-06 US disclosed
EP-3774770-B1 NOVEL HYDRAZONE DERIVATIVES FOR PREVENTING OR TREATING EBV-RELATED CANCERS UNIV BRETAGNE OCCIDENTALE (FR) 2023-09-06 EP disclosed
US-20230145074-A1 Indole Compounds and Their Use ARIAGEN, INC. (US) 2023-05-11 US disclosed
US-20230145074-A1 Indole Compounds and Their Use ARIAGEN, INC. (US) 2023-05-11 US disclosed
US-20230054194-A1 Methods of Treating Cancer ARIAGEN, INC. (US) 2023-02-23 US disclosed
US-20230054194-A1 Methods of Treating Cancer ARIAGEN, INC. (US) 2023-02-23 US disclosed
US-11459322-B2 Indole compounds and their use ARIAGEN, INC. (US) 2022-10-04 US disclosed
US-11459322-B2 Indole compounds and their use ARIAGEN, INC. (US) 2022-10-04 US disclosed
US-11427576-B2 Indole compounds and their use ARIAGEN, INC. (US) 2022-08-30 US disclosed
US-11406631-B2 Hydrazone derivatives for preventing or treating EBV-related cancers UNIVERSITE DE BRETAGNE OCCIDENTALE 2022-08-09 US disclosed
WO-2007079199-A2 SUBSTITUTED BIS-AMIDE METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, HOLDING, INC. (US) 2007-07-12 WO disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 US disclosed
WO-2006083454-A1 MULTICYCLIC BIS-AMIDE MMP INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
US-20060173183-A1 Multicyclic bis-amide MMP inhibitors ALANTOS PHARMACEUTICALS, INC., 2006-08-03 US disclosed
US-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 US disclosed
US-20030229103-A1 PYRIDINE-2,4-DICARBOXYLIC ACID DIAMIDES AND PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES AND THE USE THEREOF FOR SELECTIVELY INHIBITING COLLAGENASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-12-11 US disclosed
US-5130317-A Immunosuppressants and fibrosuppressants for metabolism of collagen HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-14 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 (10 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-20030229103-A1 PYRIDINE-2,4-DICARBOXYLIC ACID DIAMIDES AND PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES AND THE USE THEREOF FOR SELECTIVELY INHIBITING COLLAGENASES DPYD, MMP13, MMP2 MAPK1 1423/4885LCK 3060/4885KDM4E 1108/4885
US-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases MMP13, DPYD, MMP1 MAPK1 730/4885LCK 3238/4885KDM4E 582/4885
US-11459322-B2 Indole compounds and their use IDO1, IDO2, INMT MAPK1 3004/4885LCK 17/4885KDM4E 1007/4885
US-20060173183-A1 Multicyclic bis-amide MMP inhibitors MMP13, MMP3, MMP11 MAPK1 1940/4885LCK 4747/4885KDM4E 1633/4885
US-11427576-B2 Indole compounds and their use IDO1, IDO2, INMT MAPK1 3004/4885LCK 17/4885KDM4E 1007/4885
US-11891386-B2 Indole compounds and their use IDO1, IDO2, INMT MAPK1 3004/4885LCK 17/4885KDM4E 1007/4885
US-20230054194-A1 Methods of Treating Cancer TP53, MSH2, PDCD1 MAPK1 4068/4885LCK 35/4885KDM4E 1153/4885
US-11406631-B2 Hydrazone derivatives for preventing or treating EBV-related cancers RB1, MALT1, NR3C1 MAPK1 2066/4885LCK 3653/4885KDM4E 2112/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 MAPK1 2151/4885LCK 4073/4885KDM4E 1084/4885
US-20230145074-A1 Indole Compounds and Their Use IDO1, IDO2, INMT MAPK1 3004/4885LCK 17/4885KDM4E 1007/4885

“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.