SCHEMBL2628936

SCHEMBL2628936

Fc1cnc(-n2ccnn2)c2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.41
KEAP1 Q14145 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NUDT1 P36639 1/20 0.33
CYP19A1 P11511 1/20 0.32
NAMPT P43490 1/20 0.31

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
SCHEMBL1473291 0.80 NOTUM (0.37) NOTUMCYP19A1
SCHEMBL12528143 0.77 NUDT1 (0.36) NUDT1
SCHEMBL15693027 0.70 NUDT1 (0.31) NUDT1
SCHEMBL12152007 0.69 NOTUM (0.35) NOTUM
SCHEMBL19113827 0.69 LCK (0.30) NUDT1
SCHEMBL10069068 0.68 NUDT1 (0.38) NUDT1
SCHEMBL1733111 0.67 NOTUM (0.33) NOTUM
SCHEMBL2086371 0.66 NUDT1 (0.37) NUDT1
SCHEMBL2633340 0.66 PIK3C3 (0.41) NUDT1
SCHEMBL1763170 0.66 NUDT1 (0.37) NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents VIIV HEALTHCARE UK (NO. 4) LIMITED 2022-06-28 US disclosed
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK NO 4 LTD (GB) 2021-01-28 US disclosed
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK NO 4 LTD (GB) 2020-02-13 US disclosed
US-20190111066-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK NO 4 LTD (GB) 2019-04-18 US disclosed
US-20180000849-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK (NO 4) LTD (GB) 2018-01-04 US disclosed
EP-2975038-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK(NO 4) LTD (GB) 2017-07-12 EP disclosed
US-20160361328-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK (NO 4) LTD (GB) 2016-12-15 US disclosed
US-20160361328-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK (NO 4) LTD (GB) 2016-12-15 US disclosed
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-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 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
EP-1725569-B1 PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2008-01-23 EP disclosed
WO-2007002308-A9 PROCESS FOR PREPARING TRIAZOLE SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES AND NOVEL SALT FORMS PRODUCED THEREIN BRISTOL MYERS SQUIBB CO (US) 2007-03-01 WO disclosed
US-7183284-B2 Aminium salts of 1,2,3-triazoles as prodrugs of drugs including antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 US disclosed
US-7183284-B2 Aminium salts of 1,2,3-triazoles as prodrugs of drugs including antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 US disclosed
WO-2007002308-A2 PROCESS FOR PREPARING TRIAZOLE SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES AND NOVEL SALT FORMS PRODUCED THEREIN BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO 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 (9 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 NOTUM 1119/4885KEAP1 3915/4885ADORA2A 68/4885
US-20180000849-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 NOTUM 2641/4885KEAP1 3557/4885ADORA2A 2152/4885
US-20190111066-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 NOTUM 2641/4885KEAP1 3557/4885ADORA2A 2152/4885
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 NOTUM 3034/4885KEAP1 3608/4885ADORA2A 2255/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 NOTUM 1184/4885KEAP1 4154/4885ADORA2A 129/4885
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents CCR5, ZC3HAV1L, CCRL2 NOTUM 2641/4885KEAP1 3557/4885ADORA2A 2152/4885
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 NOTUM 2641/4885KEAP1 3557/4885ADORA2A 2152/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP NOTUM 677/4885KEAP1 2756/4885ADORA2A 816/4885
US-20160361328-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 NOTUM 2641/4885KEAP1 3557/4885ADORA2A 2152/4885

“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.