SCHEMBL2079787

SCHEMBL2079787

NC(=O)C(=O)c1cn(-c2ccc3ncccc3c2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.44
KDR P35968 2/20 0.40
MAP3K8 P41279 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
POLB P06746 2/20 0.39
PSMD14 O00487 1/20 0.39
TP53 P04637 1/20 0.39
MMP2 P08253 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NR4A2 P43354 1/20 0.38
PDE4A P27815 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
RORC P51449 3/20 0.38
CHRNA7 P36544 1/20 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
SCHEMBL4235833 0.87 MCL1 (0.47) KDRMAP3K8NCOA3POLBPSMD14
SCHEMBL8346183 0.86 SLC9A1 (0.41) KDRMAP3K8NCOA3POLBPSMD14
Hydrochloric Acid SCHEMBL4244322 0.85 KDR (0.41) KDRMAP3K8NCOA3POLBPSMD14
SCHEMBL4236193 0.84 KDR (0.39) KDRMAP3K8POLBNR4A2MEN1
SCHEMBL4238309 0.83 NR4A2 (0.60) KDRNR4A2MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL4236283 0.83 KDR (0.39) KDRPOLBNR4A2MEN1NPC1
SCHEMBL28574684 0.77 ALDH1A1 (0.57) MAP3K8NCOA3POLBPSMD14TP53
SCHEMBL6818446 0.76 HTR3A (0.49) SCN9ACA12CA1CA2CA9
SCHEMBL6353133 0.74 NCOA3 (0.48) KDRMAP3K8NCOA3POLBPSMD14
SCHEMBL28581807 0.74 HTR7 (0.41) KDRMAP3K8NCOA3POLBPSMD14

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 27 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-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
EP-1725569-B1 PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2008-01-23 EP disclosed
CN-1953985-A Prodrugs of piperazine and substituted piperidine antiviral drugs BRISTOL MYERS SQUIBB CO (US) 2007-04-25 CN disclosed
EP-1751161-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2007-02-14 EP 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
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

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-20180000849-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 SCN9A 2240/4885KDR 4405/4885MAP3K8 3775/4885
US-20150315218-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 SCN9A 2115/4885KDR 4536/4885MAP3K8 3765/4885
US-20190111066-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 SCN9A 2240/4885KDR 4405/4885MAP3K8 3775/4885
US-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, EIF2AK2 SCN9A 3931/4885KDR 2259/4885MAP3K8 4260/4885
US-20150232414-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 SCN9A 2240/4885KDR 4405/4885MAP3K8 3775/4885
US-20050209246-A1 Prodrugs of piperazine and substituted piperidine antiviral agents ZC3HAV1L, CCR5, CCRL2 SCN9A 2633/4885KDR 4335/4885MAP3K8 4180/4885
US-20150025240-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 SCN9A 2240/4885KDR 4405/4885MAP3K8 3775/4885
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 SCN9A 1830/4885KDR 4273/4885MAP3K8 3609/4885
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents CCR5, ZC3HAV1L, CCRL2 SCN9A 2240/4885KDR 4405/4885MAP3K8 3775/4885
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 SCN9A 2240/4885KDR 4405/4885MAP3K8 3775/4885
US-20160361328-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 SCN9A 2240/4885KDR 4405/4885MAP3K8 3775/4885
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 SCN9A 4304/4885KDR 4317/4885MAP3K8 3316/4885

“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.