SCHEMBL4076199

SCHEMBL4076199

O=C(O)c1ncc2ccnnc2c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.40
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
AGER Q15109 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
KMO O15229 1/20 0.31
RNASEH1 O60930 1/20 0.30
ERCC1 P07992 1/20 0.30
ERCC4 Q92889 1/20 0.30

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
SCHEMBL4069293 0.81 NPSR1 (0.39) FEN1ALDH1A1KDM4EALOX15NPSR1
SCHEMBL31304869 0.78 FEN1 (0.60) FEN1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL968338 0.78 FEN1 (0.60) FEN1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL3241399 0.73 CCR1 (0.41) FEN1ALDH1A1MAPTKDM4E
SCHEMBL13993801 0.68 KDM4E (0.35) FEN1HCAR2ALDH1A1MAPTKDM4E
SCHEMBL3241009 0.67 PIM1 (0.34) FEN1ALDH1A1KDM4ENPSR1EGLN1
SCHEMBL8150746 0.67 LDHA (0.50) FEN1ALDH1A1MAPTKDM4EEGLN1
SCHEMBL13993802 0.67 CCR1 (0.44) FEN1HCAR2ALDH1A1MAPTKDM4E
SCHEMBL352338 0.66 HCAR2 (0.40) HCAR2ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL23904828 0.66 CA12 (0.45) HCAR2ALDH1A1MAPTKDM4EALOX15

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664046-B1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2009-06-17 EP disclosed
US-7462721-B2 Aza-quinolinol phosphonate integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-7462721-B2 Aza-quinolinol phosphonate integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-7462721-B2 Aza-quinolinol phosphonate integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds JIN HAOLUN 2007-08-09 US disclosed
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds JIN HAOLUN 2007-08-09 US disclosed
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds JIN HAOLUN 2007-08-09 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
EP-1664046-A1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
US-20050137199-A1 Inhibition of HiV integrase compounds GILEAD SCIENCES, INC. 2005-06-23 US disclosed
WO-2005028478-A1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-03-31 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 (4 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-20050137199-A1 Inhibition of HiV integrase compounds CDKL5, CDKL1, CDKL3 FEN1 450/4885HCAR2 4434/4885ALDH1A1 3574/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE FEN1 60/4885HCAR2 4622/4885ALDH1A1 2788/4885
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds CDKL5, CDKL1, CDKL3 FEN1 571/4885HCAR2 4461/4885ALDH1A1 2811/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE FEN1 60/4885HCAR2 4622/4885ALDH1A1 2788/4885

“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.