SCHEMBL3694629

SCHEMBL3694629

Nc1nc2nc[nH]c2c(=O)n1C1(C(O)O)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.38
▸ DPP4 P27487 1/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ GDA Q9Y2T3 1/20 0.34
▸ CDK2 P24941 3/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32
▸ ATAD2 Q6PL18 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ MGMT P16455 1/20 0.32
▸ CDK1 P06493 2/20 0.32
▸ CCNB1 P14635 2/20 0.32
▸ CCNA2 P20248 2/20 0.32
▸ CCNA1 P78396 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C19 P33261 2/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ ALPL P05186 1/20 0.31

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
SCHEMBL8667325 0.80 PNP (0.38) PNPDPP4PDPK1GDACDK2
SCHEMBL3694622 0.80 — —
SCHEMBL5514289 0.74 PNP (0.37) PNPDPP4PDPK1GDAMGMT
SCHEMBL6751932 0.70 PNP (0.43) PNPDPP4PDPK1GDACDK2
SCHEMBL2983851 0.70 PNP (0.49) PNPDPP4PDPK1GDACDK2
SCHEMBL27602647 0.70 ATAD2 (0.49) PNPDPP4PDPK1GDAHRH4
Water SCHEMBL9697811 0.69 PNP (0.47) PNPDPP4PDPK1GDACDK2
SCHEMBL41788 0.69 PNP (0.50) PNPDPP4PDPK1GDACDK2
SCHEMBL441798 0.68 DPP4 (0.44) PNPDPP4PDPK1GDACDK2
SCHEMBL8886040 0.68 PNP (0.49) PNPDPP4PDPK1GDACDK2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726708-A1 VIRUS ASSOCIATED MULTIPLE SCLEROSIS: TREATMENTS, PREVENTION AND DIAGNOSIS THEREOF PATHOGENESIS CORPORATION (US) 1996-08-21 — — EP claimed
WO-1995012313-A1 VIRUS ASSOCIATED MULTIPLE SCLEROSIS: TREATMENTS, PREVENTION AND DIAGNOSIS THEREOF PATHOGENESIS CORPORATION (US) 1995-05-11 — — WO claimed
WO-2022002898-A1 6H-INDOLO(2,3-B)QUINOXALINE DERIVATIVES USEFUL IN THERAPY IN PARTICULAR IN A VIRUS INFECTION VIRONOVA MEDICAL AB (SE) 2022-01-06 — — WO disclosed
EP-2675457-B1 PHARMACEUTICAL FORMULATION FOR TOPICAL ADMINISTRATION COMPRISING B220 VIRONOVA HERPES AB (SE) 2020-12-16 — — EP disclosed
US-10682370-B2 Topical antiviral composition containing a local anesthetic and method of making the same NAL PHARMACEUTICAL GROUP LIMITED (CN) 2020-06-16 — — US disclosed
US-9789107-B2 Pharmaceutical formulation comprising 2,3-dimethyl-6-(N,N-dimethylaminoethyl)-6H-indolo-(2,3-B)quinoxaline VIRONOVA HERPES AB (SE) 2017-10-17 — — US disclosed
EP-2282804-B1 KIT FOR TOPICAL APPLICATION OF MEDICATION NOVARTIS CONSUMER HEALTH SA (CH) 2017-01-25 — — EP disclosed
US-20160031889-A1 ANTIVIRAL INDOLO[2,3-B]QUINOXALINE VIRONOVA HERPES AB (SE) 2016-02-04 — — US disclosed
US-20160015731-A1 A TOPICAL ANTIVIRAL COMPOSITION CONTAINING A LOCAL ANESTHETIC AND METHOD OF MAKING THE SAME NAL PHARMACEUTICALS, LTD. (CN) 2016-01-21 — — US disclosed
EP-2970292-A1 ANTIVIRAL INDOLO[2,3-B]QUINOXALINE Vironova Herpes AB (SE) 2016-01-20 — — EP disclosed
US-20150320746-A1 PHARMACEUTICAL FORMULATION COMPRISING 2,3-DIMETHYL-6-(N,N-DIMETHYLAMINOETHYL)-6H-INDOLO-(2,3-B)QUINOXALINE VIRONOVA HERPES AB (SE) 2015-11-12 — — US disclosed
EP-1419803-A2 Pharmaceutical composition for topical administration comprising an antiviral substance and a glucocorticoid MEDIVIR AB (SE) 2004-05-19 — — EP disclosed
EP-0809498-B1 PHARMACEUITICAL COMPOSITION FOR TOPICAL APPLICATION CONTAINING ACYCLOVIR AND HYDROCORTISONE MEDIVIR AB (SE) 2004-03-31 — — EP disclosed
EP-1296707-A4 METHODS OF TREATING VIRAL DISEASES WITH IL-18 AND IL-18 COMBINATIONS SMITHKLINE BEECHAM CORP (US) 2004-03-17 — — EP disclosed
US-20030113292-A1 Methods of treating viral diseases with il-18 and il-18 combinations NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-19 — — US disclosed
EP-1296707-A1 METHODS OF TREATING VIRAL DISEASES WITH IL-18 AND IL-18 COMBINATIONS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-02 — — EP disclosed
US-6337324-B1 VIRICIDES AND ANTIINFLAMMATORY AGENTS MEDIVIR, AB (SE) 2002-01-08 — — US disclosed
WO-2001093898-A1 METHODS OF TREATING VIRAL DISEASES WITH IL-18 AND IL-18 COMBINATIONS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-13 — — WO disclosed
EP-0809498-A1 NOVEL PHARMACEUTICAL COMBINATION Astra Aktiebolag (SE) 1997-12-03 — — EP disclosed
WO-1996024355-A1 NOVEL PHARMACEUTICAL COMBINATION ASTRA AKTIEBOLAG (SE) 1996-08-15 — — 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 (2 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-20150320746-A1 PHARMACEUTICAL FORMULATION COMPRISING 2,3-DIMETHYL-6-(N,N-DIMETHYLAMINOETHYL)-6H-INDOLO-(2,3-B)QUINOXALINE NME2, S100A10, DSG1 PNP 1025/4885DPP4 1688/4885PDPK1 1422/4885
US-20160031889-A1 ANTIVIRAL INDOLO[2,3-B]QUINOXALINE IRF3, IFNG, IDO1 PNP 167/4885DPP4 1364/4885PDPK1 378/4885

“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.

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