SCHEMBL3756777

SCHEMBL3756777

COc1cc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.71
GAK O14976 3/20 0.54
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
NEK2 P51955 3/20 0.48
PLK1 P53350 1/20 0.48
NEK1 Q96PY6 1/20 0.48
PDE5A O76074 1/20 0.48
PDE6A P16499 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE3A Q14432 1/20 0.48
JAK2 O60674 7/20 0.47
JAK1 P23458 7/20 0.47
TYK2 P29597 6/20 0.47
JAK3 P52333 6/20 0.47
CSF1R P07333 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
PDGFRA P16234 1/20 0.45

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
SCHEMBL4460917 0.89 NOS1 (0.81) NOS1GAKALDH1A1NEK2
SCHEMBL3760764 0.88 NOS1 (0.74) NOS1GAKJAK2KIT
Water SCHEMBL6481921 0.88 NOS1 (0.80) NOS1GAKALDH1A1NEK2
SCHEMBL3763471 0.87 NOS1 (0.65) NOS1GAKMAPK1
SCHEMBL3765083 0.86 NOS1 (0.72) NOS1GAKALDH1A1NEK2JAK2
SCHEMBL3760289 0.84 NOS1 (0.75) NOS1GAK
SCHEMBL3755734 0.83 NOS1 (1.00) NOS1GAKALDH1A1GAAMAPK1
SCHEMBL3765376 0.82 NOS1 (0.66) NOS1GAKNEK2JAK2JAK1
SCHEMBL3764341 0.82 NOS1 (0.68) NOS1GAKNEK2
SCHEMBL3765387 0.82 NOS1 (0.78) NOS1GAKALDH1A1MAPK1NEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-05-23 US claimed
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-12-02 US claimed
WO-2008009079-A2 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
EP-1663244-B1 PTERIDINE DERIVATIVES FOR THE TREATMENT OF TNF-ALPHA-RELATED DISEASES. 4 AZA IP NV (BE) 2007-08-15 EP claimed
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases 4 AZA BIOSCIENCE NV (BE) 2007-01-04 US claimed
EP-1663244-A2 PTERIDINE DERIVATIVES FOR THE TREATMENT OF SEPTIC SHOCK AND TNF-ALPHA-RELATED DISEASES. 4 AZA Bioscience nv (BE) 2006-06-07 EP claimed
EP-1658081-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-05-24 EP claimed
WO-2005025574-A2 PTERIDINE DERIVATIVES FOR THE TREATMENT OF SEPTIC SHOCK AND TNF-α-RELATED DISEASES. 4 AZA BIOSCIENCE NV (BE) 2005-03-24 WO claimed
WO-2005021003-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2005-03-10 WO claimed
EP-1144412-B1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-09-29 EP claimed
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2004-04-22 US claimed
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-05-23 US disclosed
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections GILEAD SCIENCES, INC. (US) 2018-12-04 US disclosed
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-12-02 US disclosed
WO-2008009079-A2 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases 4 AZA BIOSCIENCE NV (BE) 2007-01-04 US disclosed
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2006-08-24 US disclosed
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2004-04-22 US disclosed
EP-1144412-A1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. Leuven Research & Development (BE) 2001-10-17 EP disclosed
WO-2000039129-A1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-07-06 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 (6 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-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885GAK 2047/4885ALDH1A1 1548/4885
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 141/4885GAK 2537/4885ALDH1A1 1257/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885GAK 2047/4885ALDH1A1 1548/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 141/4885GAK 2537/4885ALDH1A1 1257/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885GAK 2047/4885ALDH1A1 1548/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 NOS1 47/4885GAK 3628/4885ALDH1A1 3134/4885

“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.