SCHEMBL2628871

SCHEMBL2628871

COC(=O)C(=O)c1c[nH]c2c(Cl)ncc(Br)c12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.35
CYP2C9 P11712 1/20 0.31
JAK2 O60674 3/20 0.31
JAK3 P52333 3/20 0.31
MAP3K7 O43318 2/20 0.30
TAB1 Q15750 2/20 0.30
MAP2K1 Q02750 1/20 0.30

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
SCHEMBL9942576 0.85 NR4A2 (0.35) NR4A2CYP2C9MAP3K7TAB1MAP2K1
SCHEMBL2628870 0.85 NR4A2 (0.36) NR4A2CYP2C9JAK2JAK3MAP3K7
SCHEMBL1763549 0.84 NR4A2 (0.35) NR4A2CYP2C9JAK2JAK3MAP3K7
SCHEMBL1762967 0.84 CYP2C9 (0.43) NR4A2CYP2C9
SCHEMBL12751060 0.83 KDM5A (0.33)
SCHEMBL9942574 0.83 MAP4K1 (0.35) NR4A2CYP2C9JAK2JAK3MAP3K7
SCHEMBL27697644 0.75 MTNR1A (0.34)
SCHEMBL3933553 0.74 CYP2C9 (0.43) NR4A2CYP2C9JAK2JAK3MAP3K7
SCHEMBL1763314 0.74 JAK3 (0.32) NR4A2CYP2C9JAK2JAK3MAP3K7
SCHEMBL1763185 0.73 NR4A2 (0.45) NR4A2MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20140135342-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2014-05-15 US disclosed
US-20140135342-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2014-05-15 US disclosed
EP-1474135-B9 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2008-08-06 EP 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-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
EP-1474135-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2007-11-21 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 (8 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 NR4A2 2368/4885CYP2C9 905/4885JAK2 2319/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 NR4A2 2916/4885CYP2C9 1182/4885JAK2 1620/4885
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP NR4A2 3852/4885CYP2C9 1267/4885JAK2 3007/4885
US-20140135342-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP NR4A2 3852/4885CYP2C9 1267/4885JAK2 3007/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 NR4A2 2368/4885CYP2C9 905/4885JAK2 2319/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 NR4A2 2795/4885CYP2C9 2812/4885JAK2 1650/4885
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 NR4A2 2916/4885CYP2C9 1182/4885JAK2 1620/4885
US-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES IDO2, IDO1, INMT NR4A2 1410/4885CYP2C9 888/4885JAK2 1397/4885

“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.