SCHEMBL369404

SCHEMBL369404

O=C(O)C(=O)c1c[nH]c2ccncc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
NAMPT P43490 1/20 0.48
HASPIN Q8TF76 1/20 0.44
HTR6 P50406 2/20 0.44
ROCK1 Q13464 1/20 0.44
HAT1 O14929 1/20 0.41
EP300 Q09472 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
NR4A2 P43354 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39

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
SCHEMBL2817519 0.88 NAMPT (0.51) CYP2C19CYP3A4NAMPTHASPINHTR6
SCHEMBL2628950 0.87 CYP2D6 (0.48) CYP2C19HASPINHAT1EP300MEN1
Potassium Ion SCHEMBL3887398 0.85 NAMPT (0.47) CYP2C19CYP3A4NAMPTHASPINHTR6
SCHEMBL3887392 0.85 HTR6 (0.46) CYP2C19CYP3A4NAMPTHASPINHTR6
SCHEMBL29688274 0.81 NR4A2 (0.47) CYP2C19CYP3A4NAMPTHASPINHTR6
SCHEMBL3236458 0.81 NR4A2 (0.47) CYP2C19CYP3A4NAMPTHASPINHTR6
SCHEMBL22049722 0.81 ALDH1A1 (0.59) CYP2C19CYP3A4NAMPTHASPINHTR6
SCHEMBL12481581 0.81 HASPIN (0.64) CYP2C19CYP3A4NAMPTHASPINHTR6
SCHEMBL30066929 0.80 GPR84 (0.51) CYP2C19CYP3A4NAMPTROCK1HAT1
SCHEMBL6778035 0.79 KDM4E (0.55) CYP2C19NAMPTHASPINHTR6ROCK1

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 38 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
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP 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-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 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
WO-2005090367-A1 PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-29 WO disclosed
US-6900323-B2 Antiviral azaindole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 US disclosed
EP-1257276-A4 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-10-27 EP disclosed
US-20040023982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-02-05 US disclosed
US-6632819-B1 HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY 2003-10-14 US disclosed
EP-1257276-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-20 EP disclosed
US-6476034-B2 AIDS THERAPY BRISTOL-MYERS SQUIBB COMPANY 2002-11-05 US disclosed
US-20020119982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-08-29 US disclosed
US-20020061892-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-05-23 US disclosed
WO-2001062255-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-30 WO 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 (11 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-20020119982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2C19 3101/4885CYP3A4 491/4885NAMPT 892/4885
US-20020061892-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2C19 3101/4885CYP3A4 491/4885NAMPT 892/4885
US-20180000849-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 CYP2C19 435/4885CYP3A4 1322/4885NAMPT 4270/4885
US-20150315218-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 CYP2C19 631/4885CYP3A4 1585/4885NAMPT 4070/4885
US-20190111066-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 CYP2C19 435/4885CYP3A4 1322/4885NAMPT 4270/4885
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 CYP2C19 402/4885CYP3A4 1334/4885NAMPT 4288/4885
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents CCR5, ZC3HAV1L, CCRL2 CYP2C19 435/4885CYP3A4 1322/4885NAMPT 4270/4885
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 CYP2C19 435/4885CYP3A4 1322/4885NAMPT 4270/4885
US-20040023982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, EIF2AK2 CYP2C19 3009/4885CYP3A4 589/4885NAMPT 1042/4885
US-20160361328-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 CYP2C19 435/4885CYP3A4 1322/4885NAMPT 4270/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A CYP2C19 3510/4885CYP3A4 3773/4885NAMPT 1864/4885

“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.