SCHEMBL709331

SCHEMBL709331

c1cnc2cc[nH]c2c1.c1cnc2cc[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.53
MAPK1 P28482 2/20 0.48
NUDT1 P36639 2/20 0.45
AXL P30530 1/20 0.45
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.41
AHR P35869 2/20 0.41
TRPA1 O75762 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
ADK P55263 1/20 0.41
DAO P14920 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
NR4A2 P43354 2/20 0.38

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
SCHEMBL12565 1.00
SCHEMBL29408291 1.00
SCHEMBL2590859 0.98 PSMD14 (0.52) PSMD14MAPK1NUDT1AXLKDM4E
Potassium SCHEMBL6698642 0.98 PSMD14 (0.52) PSMD14MAPK1NUDT1AXLKDM4E
Hydrochloric Acid SCHEMBL27527111 0.98 PSMD14 (0.52) PSMD14MAPK1NUDT1AXLKDM4E
Hydrochloric Acid SCHEMBL5283362 0.98 PSMD14 (0.52) PSMD14MAPK1NUDT1AXLKDM4E
SCHEMBL30051791 0.98 PSMD14 (0.52) PSMD14MAPK1NUDT1AXLKDM4E
Bromide SCHEMBL1435739 0.98 PSMD14 (0.52) PSMD14MAPK1NUDT1AXLKDM4E
Ammonia Solution, Strong SCHEMBL5790263 0.98 PSMD14 (0.52) PSMD14MAPK1NUDT1AXLKDM4E
SCHEMBL3087140 0.98 PSMD14 (0.52) PSMD14MAPK1NUDT1AXLKDM4E

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 124 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
US-9655888-B2 Tricyclic alkene derivatives as HIV attachment inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2017-05-23 US disclosed
EP-2696937-B1 THIOAMIDE, AMIDOXIME AND AMIDRAZONE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-05-17 EP disclosed
US-9586957-B2 2-keto amide derivatives as HIV attachment inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2017-03-07 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-9505752-B2 Piperidine amide derivatives as HIV attachment inhibitors VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-11-29 US disclosed
US-20060172974-A1 Crystalline forms of 1-benzoyl-4-[2-[4,7-dimethoxy-1-[(phosphonooxy)methyl]-1H-pyrrolo[2,3-C]pyridin-3-yl]-1,2-dioxoethyl]-piperazine VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2006-08-03 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
CN-1688311-A Compositions and antiviral activity of substituted azaindoloxoacetylpiperazine derivatives BRISTOL MYERS SQUIBB CO (US) 2005-10-26 CN disclosed
US-20050209246-A1 Prodrugs of piperazine and substituted piperidine antiviral agents SALZUFER HOLDING INC., AS ADMINISTRATIVE AGENT 2005-09-22 US disclosed
CN-1671697-A Indoles, azaindoles and related heterocyclic 4-alkenyl piperidine amides BRISTOL MYERS SQUIBB CO (US) 2005-09-21 CN disclosed
WO-2005054247-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-16 WO disclosed
US-20050124623-A1 For example, 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; useful for the treatment of HIV and AIDS SILEO, LLC 2005-06-09 US disclosed
CN-1612763-A Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL MYERS SQUIBB CO (US) 2005-05-04 CN disclosed
US-20050075364-A1 Indole, azaindole and related heterocyclic N-substituted piperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2005-04-07 US disclosed
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-09-23 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 (12 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-20060172974-A1 Crystalline forms of 1-benzoyl-4-[2-[4,7-dimethoxy-1-[(phosphonooxy)methyl]-1H-pyrrolo[2,3-C]pyridin-3-yl]-1,2-dioxoethyl]-piperazine PPIP5K2, PML, ACP1 PSMD14 4763/4885MAPK1 1576/4885NUDT1 860/4885
US-20180000849-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 PSMD14 4200/4885MAPK1 2806/4885NUDT1 423/4885
US-20190111066-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 PSMD14 4200/4885MAPK1 2806/4885NUDT1 423/4885
US-20050075364-A1 Indole, azaindole and related heterocyclic N-substituted piperazine derivatives IDO2, IDO1, INMT PSMD14 3229/4885MAPK1 4093/4885NUDT1 38/4885
US-20050261296-A1 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS MALT1, BCL6, CD4 PSMD14 1807/4885MAPK1 4048/4885NUDT1 96/4885
US-20050209246-A1 Prodrugs of piperazine and substituted piperidine antiviral agents ZC3HAV1L, CCR5, CCRL2 PSMD14 3826/4885MAPK1 2967/4885NUDT1 447/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT PSMD14 2912/4885MAPK1 4407/4885NUDT1 414/4885
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 PSMD14 4213/4885MAPK1 2626/4885NUDT1 542/4885
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents CCR5, ZC3HAV1L, CCRL2 PSMD14 4200/4885MAPK1 2806/4885NUDT1 423/4885
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 PSMD14 4200/4885MAPK1 2806/4885NUDT1 423/4885
US-20160361328-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 PSMD14 4200/4885MAPK1 2806/4885NUDT1 423/4885
US-20050124623-A1 For example, 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; useful for the treatment of HIV and AIDS CD4, CCR5, PAICS PSMD14 4297/4885MAPK1 4006/4885NUDT1 744/4885

“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.