SCHEMBL967939

SCHEMBL967939

COC(=O)c1ncc2cccnc2c1O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.55
EGLN1 Q9GZT9 5/20 0.50
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.44
HSP90AA1 P07900 2/20 0.44
RAB9A P51151 2/20 0.44
PAX8 Q06710 2/20 0.44

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
SCHEMBL13993804 0.85 L3MBTL1 (0.48) FEN1EGLN1KDM4EL3MBTL1ALOX15
SCHEMBL31646056 0.82 FEN1 (0.50) FEN1EGLN1KDM4EL3MBTL1ALDH1A1
SCHEMBL31304869 0.81 FEN1 (0.60) FEN1EGLN1KDM4EL3MBTL1ALOX15
SCHEMBL968338 0.81 FEN1 (0.60) FEN1EGLN1KDM4EL3MBTL1ALOX15
SCHEMBL4069293 0.81 NPSR1 (0.39) FEN1EGLN1KDM4EL3MBTL1ALOX15
SCHEMBL5778708 0.80 FEN1 (0.53) FEN1EGLN1ALDH1A1
SCHEMBL4067804 0.80 FEN1 (0.56) FEN1EGLN1KDM4EL3MBTL1ALOX15
SCHEMBL1342390 0.80 FEN1 (0.56) FEN1EGLN1KDM4EALOX15HTT
SCHEMBL3244917 0.79 KDM4E (0.44) FEN1EGLN1KDM4EL3MBTL1ALOX15
SCHEMBL3240049 0.79 KDM4E (0.41) FEN1KDM4EL3MBTL1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP claimed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO claimed
CN-103709162-B Tri-substituted imidazole benzodiazine ketonic compound and its production and use 中国科学院上海药物研究所 2016-12-07 CN disclosed
CN-102558172-B 5,8-bis-replaces-1,6-naphthyridine-7-amidocarbonylation compound and dimer compound thereof, Preparation Method And The Use SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-11-25 CN disclosed
CN-101684119-B 5,8-disubstituted-1,6-quinazoline-7-amidocarbonylation compound, preparing method, composite and application thereof SHANGHAI INST MATERIA MEDICA 2012-11-28 CN disclosed
CN-102558172-A 5,8-disubstituted-1,6-naphthyridine-7-carbonyl amide compounds, dimer compounds of 5,8-disubstituted-1,6-naphthyridine-7-carbonyl amide compounds, and preparation method and use of 5,8-disubstituted-1,6-naphthyridine-7-carbonyl amide compounds and dimer compounds of 5,8-disubstituted-1,6-naphthyridine-7-carbonyl amide compounds SHANGHAI INST MATERIA MEDICA 2012-07-11 CN disclosed
US-8163760-B2 Use of pyridopyrimidine compounds in the treatment of gliomas PRANA BIOTECHNOLOGY LIMITED (AU) 2012-04-24 US disclosed
CN-1720238-B Neurologically-active compounds PRANA BIOTECHNOLOGY LTD 2011-08-03 CN disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
US-20030119823-A1 Sodium salt of an HIV integrase inhibitor MERCK & CO., INC. 2003-06-26 US disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US disclosed
WO-2003016309-A1 PROCESS FOR PREPARING 5-SULFONAMIDO-8-HYDROXY-1, 6-NAPHTHYRIDINE-7-CARBOXAMIDES MERCK & CO., INC. (US) 2003-02-27 WO disclosed
WO-2003016294-A1 PROCESS FOR PREPARING SULTAMS MERCK & CO., INC. (US) 2003-02-27 WO disclosed
WO-2003016315-A1 SODIUM SALT OF AN HIV INTEGRASE INHIBITOR MERCK & CO., INC. (US) 2003-02-27 WO disclosed
WO-2002030931-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO disclosed
WO-2002030426-A1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 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 (3 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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR FEN1 489/4885EGLN1 3590/4885KDM4E 2029/4885
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA FEN1 500/4885EGLN1 2027/4885KDM4E 288/4885
US-20030119823-A1 Sodium salt of an HIV integrase inhibitor IMPA1, IMPDH1, SLC28A1 FEN1 204/4885EGLN1 2179/4885KDM4E 2079/4885

“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.