SCHEMBL2078432

SCHEMBL2078432

c1ncc2cc[nH]c2n1.c1ncc2cc[nH]c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.48
NUDT1 P36639 2/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
CDK8 P49336 4/20 0.44
RIPK1 Q13546 3/20 0.42
EGFR P00533 3/20 0.40
MAPK1 P28482 4/20 0.39
CCNT1 O60563 1/20 0.38
CCND1 P24385 1/20 0.38
CCNC P24863 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CDK6 Q00534 1/20 0.38
DYRK1A Q13627 2/20 0.37
FGFR1 P11362 2/20 0.37

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
SCHEMBL64925 1.00
SCHEMBL29407705 1.00
Hydrochloric Acid SCHEMBL31308615 0.98 AXL (0.47) AXLNUDT1PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL311520 0.98 AXL (0.47) AXLNUDT1PIK3CDPIK3CAPIK3CB
SCHEMBL3845938 0.98 AXL (0.47) AXLNUDT1PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL310786 0.98 AXL (0.47) AXLNUDT1PIK3CDPIK3CAPIK3CB
SCHEMBL7500296 0.98 AXL (0.47) AXLNUDT1PIK3CDPIK3CAPIK3CB
SCHEMBL15880172 0.92 AXL (0.42) AXLNUDT1PIK3CDPIK3CAPIK3CB
Methylene Chloride SCHEMBL27892265 0.92 AXL (0.42) AXLNUDT1PIK3CDPIK3CAPIK3CB
Urea SCHEMBL15380856 0.90 RIPK1 (0.49) AXLNUDT1PIK3CDPIK3CAPIK3CB

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 AXL 4709/4885NUDT1 423/4885PIK3CD 2499/4885
US-20150315218-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 AXL 4765/4885NUDT1 480/4885PIK3CD 2844/4885
US-20190111066-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 AXL 4709/4885NUDT1 423/4885PIK3CD 2499/4885
US-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, EIF2AK2 AXL 4031/4885NUDT1 685/4885PIK3CD 1301/4885
US-20150232414-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 AXL 4709/4885NUDT1 423/4885PIK3CD 2499/4885
US-20050209246-A1 Prodrugs of piperazine and substituted piperidine antiviral agents ZC3HAV1L, CCR5, CCRL2 AXL 4797/4885NUDT1 447/4885PIK3CD 2630/4885
US-20150025240-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 AXL 4709/4885NUDT1 423/4885PIK3CD 2499/4885
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 AXL 4718/4885NUDT1 542/4885PIK3CD 2317/4885
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents CCR5, ZC3HAV1L, CCRL2 AXL 4709/4885NUDT1 423/4885PIK3CD 2499/4885
US-20100210599-A1 PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 AXL 4797/4885NUDT1 447/4885PIK3CD 2630/4885
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 AXL 4709/4885NUDT1 423/4885PIK3CD 2499/4885
US-20160361328-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 AXL 4709/4885NUDT1 423/4885PIK3CD 2499/4885
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 AXL 3210/4885NUDT1 744/4885PIK3CD 782/4885

“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.