SCHEMBL3765558

SCHEMBL3765558

Cc1nn(C)c(C)c1-c1cnc2nc(N)nc(N3CCOCC3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.60
NUDT1 P36639 1/20 0.41
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
PIK3CA P42336 10/20 0.39
MTOR P42345 5/20 0.37
PIK3R1 P27986 1/20 0.36
ADK P55263 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
RPTOR Q8N122 1/20 0.35
MLST8 Q9BVC4 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
SCHEMBL3765116 0.82 NOS1 (0.61) NOS1NUDT1ATRATRIPPIK3CA
SCHEMBL3765592 0.81 NOS1 (0.64) NOS1NUDT1PIK3CAMTORPIK3R1
SCHEMBL3760468 0.81 NOS1 (0.60) NOS1NUDT1PIK3CAMTORPIK3R1
SCHEMBL14304541 0.79 NOS1 (0.65) NOS1NUDT1PIK3CAMTORPIK3R1
SCHEMBL3763715 0.77 NOS1 (0.78) NOS1PIK3CAMTORPIK3R1PIK3CD
SCHEMBL3768171 0.77 NOS1 (0.67) NOS1NUDT1ATRATRIPPIK3CA
SCHEMBL3755512 0.77 NOS1 (0.67) NOS1NUDT1PIK3CAMTORPIK3R1
SCHEMBL3760462 0.77 NOS1 (0.70) NOS1PIK3CAMTORADKPIK3CD
SCHEMBL3765490 0.77 NOS1 (0.70) NOS1PIK3CAADKPIK3CD
SCHEMBL3763980 0.77 NOS1 (0.70) NOS1PIK3CAMTORADKPIK3CD

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 2154/4885NUDT1 60/4885ATR 2767/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885NUDT1 60/4885ATR 2767/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885NUDT1 60/4885ATR 2767/4885

“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.