SCHEMBL1763380

SCHEMBL1763380

COC(=O)C(=O)c1c[nH]c2c(Cl)ccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
NR4A2 P43354 5/20 0.46
MAP2K1 Q02750 2/20 0.38
DAO P14920 1/20 0.36
CSNK2A1 P68400 3/20 0.36
CSNK2A2 P19784 2/20 0.36
CSNK2B P67870 2/20 0.36
PYGL P06737 1/20 0.34
AXL P30530 2/20 0.33
PRKAA1 Q13131 2/20 0.33
TET2 Q6N021 1/20 0.33
TET1 Q8NFU7 1/20 0.33
ATM Q13315 1/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
MAPK13 O15264 1/20 0.33
PDPK1 O15530 1/20 0.33
DAPK3 O43293 1/20 0.33

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
SCHEMBL7063133 0.86 KDM5A (0.38) KDM5AKDM4CNR4A2MAP2K1AXL
SCHEMBL12215399 0.84 KDM5A (0.51) KDM5AKDM4CNR4A2MAP2K1DAO
SCHEMBL1472608 0.82 KDM5A (0.56) KDM5AKDM4CNR4A2MAP2K1DAO
Potassium Ion SCHEMBL1763260 0.81 KDM5A (0.51) KDM5AKDM4CNR4A2MAP2K1DAO
SCHEMBL1763185 0.79 NR4A2 (0.45) KDM5AKDM4CNR4A2MAP2K1CSNK2A1
SCHEMBL6733348 0.79 KDM4C (0.69) KDM5AKDM4CNR4A2DAOCSNK2A1
SCHEMBL1762964 0.78 CYP3A4 (0.49) NR4A2PRKAA1CDK1GSK3AGSK3B
SCHEMBL21042568 0.77 KDM5A (0.54) KDM5AKDM4CNR4A2MAP2K1DAO
SCHEMBL7064347 0.75 MAP2K1 (0.48) NR4A2MAP2K1KDRGSK3BKDM4E
SCHEMBL7063086 0.73 NR4A2 (0.40) NR4A2MAP2K1CSNK2A1AXLHIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-11-19 US disclosed
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-09-17 US disclosed
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-09-17 US disclosed
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-03-26 US disclosed
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-03-26 US disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
US-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 US disclosed
US-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US disclosed
US-20050261296-A1 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2005-11-24 US disclosed
US-20030181463-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-09-25 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-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 KDM5A 369/4885KDM4C 844/4885NR4A2 2368/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 KDM5A 173/4885KDM4C 518/4885NR4A2 2916/4885
US-20050261296-A1 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS MALT1, BCL6, CD4 KDM5A 524/4885KDM4C 557/4885NR4A2 2272/4885
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP KDM5A 275/4885KDM4C 837/4885NR4A2 3852/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 KDM5A 369/4885KDM4C 844/4885NR4A2 2368/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 KDM5A 581/4885KDM4C 1004/4885NR4A2 2795/4885
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 KDM5A 173/4885KDM4C 518/4885NR4A2 2916/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP KDM5A 211/4885KDM4C 660/4885NR4A2 3325/4885
US-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES IDO2, IDO1, INMT KDM5A 284/4885KDM4C 563/4885NR4A2 1410/4885
US-20030181463-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 KDM5A 288/4885KDM4C 734/4885NR4A2 1214/4885

“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.