SCHEMBL709685

SCHEMBL709685

c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 1.00
NUDT1 P36639 3/20 1.00
MAPK1 P28482 2/20 0.48
CDK8 P49336 2/20 0.46
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PRKCI P41743 3/20 0.43
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MMP2 P08253 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL29523425 1.00
SCHEMBL17837 1.00
Ammonia Solution, Strong SCHEMBL27486357 0.98 AXL (0.95) AXLNUDT1MAPK1CDK8PIK3CD
Bromide SCHEMBL27394282 0.98 AXL (0.95) AXLNUDT1MAPK1CDK8PIK3CD
SCHEMBL27753650 0.98 AXL (0.95) AXLNUDT1MAPK1CDK8PIK3CD
Hydrochloric Acid SCHEMBL27893779 0.98 AXL (0.95) AXLNUDT1MAPK1CDK8PIK3CD
SCHEMBL27692181 0.98
Methane SCHEMBL14738986 0.98 AXL (0.95) AXLNUDT1MAPK1CDK8PIK3CD
Potassium SCHEMBL30760557 0.98 AXL (0.95) AXLNUDT1MAPK1CDK8PIK3CD
SCHEMBL7639700 0.98 AXL (0.95) AXLNUDT1MAPK1CDK8PIK3CD

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 130 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-9655888-B2 Tricyclic alkene derivatives as HIV attachment inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2017-05-23 US 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-9586957-B2 2-keto amide derivatives as HIV attachment inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2017-03-07 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-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
CN-1612763-A Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL MYERS SQUIBB CO (US) 2005-05-04 CN disclosed
US-20050075364-A1 Indole, azaindole and related heterocyclic N-substituted piperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2005-04-07 US disclosed
US-20050059695-A1 Processes for the preparation of antiviral 7-azaindole derivatives SOUNDARARAJAN NACHIMUTHU (US) 2005-03-17 US disclosed
EP-1487450-A1 PROCESS FOR THE PREPARATION OF ANTIVIRAL 7-AZAINDOLE DERIVATIVES Bristol-Myers Squibb Company (US) 2004-12-22 EP disclosed
EP-1474135-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES Bristol-Myers Squibb Company (US) 2004-11-10 EP disclosed
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-09-23 US disclosed
WO-2004011425-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC UREIDO AND THIOUREIDO PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-05 WO disclosed
WO-2003082289-A1 PROCESS FOR THE PREPARATION OF ANTIVIRAL 7-AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-09 WO disclosed
WO-2003068221-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-21 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 (10 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 423/4885MAPK1 2806/4885
US-20190111066-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 AXL 4709/4885NUDT1 423/4885MAPK1 2806/4885
US-20050075364-A1 Indole, azaindole and related heterocyclic N-substituted piperazine derivatives IDO2, IDO1, INMT AXL 4412/4885NUDT1 38/4885MAPK1 4093/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT AXL 4753/4885NUDT1 414/4885MAPK1 4407/4885
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 AXL 4718/4885NUDT1 542/4885MAPK1 2626/4885
US-20050059695-A1 Processes for the preparation of antiviral 7-azaindole derivatives MAVS, EIF2AK2, IMPDH1 AXL 3809/4885NUDT1 29/4885MAPK1 2938/4885
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents CCR5, ZC3HAV1L, CCRL2 AXL 4709/4885NUDT1 423/4885MAPK1 2806/4885
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 AXL 4709/4885NUDT1 423/4885MAPK1 2806/4885
US-20160361328-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 AXL 4709/4885NUDT1 423/4885MAPK1 2806/4885
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 744/4885MAPK1 4006/4885

“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.