SCHEMBL2079963

SCHEMBL2079963

c1cc2cnncc2[nH]1.c1cc2cnncc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 7/20 0.44
TRPA1 O75762 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
ADK P55263 1/20 0.44
GPR84 Q9NQS5 1/20 0.39
CYP2A6 P11509 3/20 0.38
NR4A2 P43354 2/20 0.38
CMA1 P23946 1/20 0.38
F7 P08709 1/20 0.38
LTA4H P09960 1/20 0.38
F3 P13726 1/20 0.38
TYR P14679 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 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
SCHEMBL329720 1.00
SCHEMBL29882403 1.00
SCHEMBL28080236 0.70 PIK3CD (0.37) AHRTRPA1CA1CA2ITGB2
SCHEMBL12470 0.70
SCHEMBL706764 0.70 MAPT (0.50) AHRTRPA1CA1CA2ITGB2
SCHEMBL30205720 0.70
SCHEMBL29465576 0.70
SCHEMBL709416 0.70 PDE3B (0.50) AHRTRPA1CA1CA2ITGB2
SCHEMBL67000 0.70
SCHEMBL17372872 0.69 MAPT (0.45) AHRTRPA1CA1CA2ITGB2

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 24 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-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-20150315218-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-11-05 US disclosed
US-20150232414-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-08-20 US disclosed
US-20150025240-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-01-22 US disclosed
US-8871771-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-28 US disclosed
US-7902204-B2 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
CN-101941990-A The prodrug of the piperidine antiviral agents of piperazine and replacement BRISTOL MYERS SQUIBB CO 2011-01-12 CN disclosed
US-20100210599-A1 PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-7745625-B2 Prodrugs of piperazine and substituted piperidine antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-29 US disclosed
CN-1953985-B Prodrugs of piperazine and substituted piperidine antiviral drugs BRISTOL MYERS SQUIBB CO 2010-06-09 CN disclosed
US-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-05-29 US disclosed
CN-1953985-A Prodrugs of piperazine and substituted piperidine antiviral drugs BRISTOL MYERS SQUIBB CO (US) 2007-04-25 CN disclosed
CN-1906199-A Diazaindole-dicarbonyl-piperazinyl antiviral agents BRISTOL MYERS SQUIBB CO (US) 2007-01-31 CN disclosed
US-20050209246-A1 Prodrugs of piperazine and substituted piperidine antiviral agents SALZUFER HOLDING INC., AS ADMINISTRATIVE AGENT 2005-09-22 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 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-20180000849-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 AHR 1714/4885TRPA1 1679/4885CA1 1730/4885
US-20150315218-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 AHR 1927/4885TRPA1 2112/4885CA1 1324/4885
US-20190111066-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 AHR 1714/4885TRPA1 1679/4885CA1 1730/4885
US-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, EIF2AK2 AHR 2240/4885TRPA1 4705/4885CA1 4643/4885
US-20150232414-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 AHR 1714/4885TRPA1 1679/4885CA1 1730/4885
US-20050209246-A1 Prodrugs of piperazine and substituted piperidine antiviral agents ZC3HAV1L, CCR5, CCRL2 AHR 1096/4885TRPA1 1531/4885CA1 2210/4885
US-20150025240-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 AHR 1714/4885TRPA1 1679/4885CA1 1730/4885
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 AHR 1759/4885TRPA1 1354/4885CA1 2027/4885
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents CCR5, ZC3HAV1L, CCRL2 AHR 1714/4885TRPA1 1679/4885CA1 1730/4885
US-20100210599-A1 PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 AHR 1096/4885TRPA1 1531/4885CA1 2210/4885
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 AHR 1714/4885TRPA1 1679/4885CA1 1730/4885
US-20160361328-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 AHR 1714/4885TRPA1 1679/4885CA1 1730/4885
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 AHR 1354/4885TRPA1 4809/4885CA1 4881/4885

“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.