SCHEMBL1733111

SCHEMBL1733111

O=C(O)C(=O)c1c[nH]c2c(-n3ccnn3)ncc(F)c12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL12151881 0.90 NOTUM (0.33) NOTUMCYP3A4CYP1A2CYP2C8CYP2D6
SCHEMBL12528172 0.87 CYP3A4 (0.34) NOTUMCYP3A4CYP1A2CYP2C8CYP2D6
SCHEMBL9286142 0.83 CYP3A4 (0.39) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9
SCHEMBL1472955 0.83 CYP3A4 (0.48) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL9284226 0.82 CYP3A4 (0.39) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9
SCHEMBL14754247 0.81 CYP3A4 (0.34) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9
SCHEMBL9914929 0.81 CYP3A4 (0.40) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9
SCHEMBL2628937 0.81 CYP3A4 (0.57) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9
SCHEMBL9914895 0.80 CYP3A4 (0.41) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9
SCHEMBL9914921 0.80 CYP3A4 (0.41) CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9

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 165 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
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-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-9505752-B2 Piperidine amide derivatives as HIV attachment inhibitors VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-11-29 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
WO-2007041616-A1 PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-12 WO disclosed
WO-2007041616-A1 PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-12 WO disclosed
US-20070078141-A1 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070078141-A1 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070078141-A1 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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
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

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

For each of this compound's patents that has machine-readable text (8 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-20070078141-A1 Piperazine amidines as antiviral agents IDO1, IDO2, EIF2AK2 NOTUM 1586/4885CYP3A4 644/4885CYP1A2 442/4885
US-20180000849-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 NOTUM 2641/4885CYP3A4 1322/4885CYP1A2 947/4885
US-20190111066-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 NOTUM 2641/4885CYP3A4 1322/4885CYP1A2 947/4885
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 NOTUM 3034/4885CYP3A4 1334/4885CYP1A2 902/4885
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents CCR5, ZC3HAV1L, CCRL2 NOTUM 2641/4885CYP3A4 1322/4885CYP1A2 947/4885
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 NOTUM 2641/4885CYP3A4 1322/4885CYP1A2 947/4885
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS NOTUM 2112/4885CYP3A4 1204/4885CYP1A2 2178/4885
US-20160361328-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 NOTUM 2641/4885CYP3A4 1322/4885CYP1A2 947/4885

“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.