SCHEMBL3760468

SCHEMBL3760468

Cc1n[nH]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
LRRK2 Q5S007 2/20 0.40
MAPK1 P28482 1/20 0.40
PIK3CA P42336 7/20 0.37
MTOR P42345 5/20 0.37
PIK3CD O00329 2/20 0.36
PIK3R1 P27986 1/20 0.36
ADK P55263 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
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
SCHEMBL4870538 0.84 NOS1 (0.49) NOS1NUDT1LRRK2PIK3CAMTOR
SCHEMBL3765116 0.82 NOS1 (0.61) NOS1NUDT1PIK3CAMTOR
SCHEMBL3765592 0.81 NOS1 (0.64) NOS1NUDT1PIK3CAMTORPIK3R1
SCHEMBL3765558 0.81 NOS1 (0.60) NOS1NUDT1PIK3CAMTORPIK3CD
SCHEMBL3768171 0.79 NOS1 (0.67) NOS1NUDT1PIK3CAMTORPIK3CD
SCHEMBL14304541 0.79 NOS1 (0.65) NOS1NUDT1PIK3CAMTORPIK3CD
SCHEMBL3763715 0.77 NOS1 (0.78) NOS1PIK3CAMTORPIK3CDPIK3R1
SCHEMBL3755512 0.77 NOS1 (0.67) NOS1NUDT1PIK3CAMTORPIK3CD
SCHEMBL3756751 0.77 NOS1 (0.67) NOS1PIK3CAMTORPIK3CDADK
SCHEMBL3760462 0.77 NOS1 (0.70) NOS1LRRK2PIK3CAMTORPIK3CD

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
WO-2008009079-A2 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO 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

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 60/4885LRRK2 1434/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885NUDT1 60/4885LRRK2 1434/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885NUDT1 60/4885LRRK2 1434/4885

“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.