SCHEMBL3765629

SCHEMBL3765629

COc1ccc2c(c1)cc(-c1cnc3nc(N)nc(N4CCOCC4)c3n1)n2C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.59
ATR Q13535 2/20 0.53
ATRIP Q8WXE1 2/20 0.53
NR1H2 P55055 1/20 0.39
ADORA2A P29274 4/20 0.36
GAK O14976 1/20 0.36
PIK3CA P42336 5/20 0.35
PIK3R1 P27986 4/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
AKT1 P31749 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL3763761 0.90 NOS1 (0.49) NOS1ATRATRIPPIK3CAPIK3R1
SCHEMBL3755329 0.81 NR1H2 (0.40) NOS1ATRATRIPNR1H2
SCHEMBL3760507 0.80 NOS1 (0.56) NOS1ATRPIK3CAPIK3R1PIK3CD
SCHEMBL3761885 0.77 NOS1 (0.57) NOS1ATRGAKPIK3CAPIK3R1
SCHEMBL3755734 0.76 NOS1 (1.00) NOS1GAKPIK3CA
SCHEMBL3763461 0.75 NOS1 (0.57) NOS1ATRPIK3CAPIK3R1PIK3CD
SCHEMBL3769699 0.75 NOS1 (0.67) NOS1ATRGAKPIK3CAPIK3R1
SCHEMBL3752786 0.74 NOS1 (0.63) NOS1ATRGAKPIK3CAPIK3CD
SCHEMBL3765387 0.74 NOS1 (0.78) NOS1GAKPIK3CAPIK3CBPIK3CG
SCHEMBL3760395 0.74 NOS1 (0.68) NOS1GAKPIK3CAPIK3CDPIK3CB

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 6 patents. 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
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

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-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ATR 2767/4885ATRIP 2122/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ATR 2767/4885ATRIP 2122/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ATR 2767/4885ATRIP 2122/4885

“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.