SCHEMBL3752641

SCHEMBL3752641

Nc1nc(N2CCOCC2)c2nc(-c3cccc(CO)c3)cnc2n1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.72
PIK3CA P42336 12/20 0.54
MTOR P42345 10/20 0.54
PIK3CG P48736 5/20 0.54
PIK3CD O00329 2/20 0.54
LRRK2 Q5S007 1/20 0.52
HDAC6 Q9UBN7 2/20 0.46
PIK3CB P42338 1/20 0.46

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
SCHEMBL3755554 0.88 NOS1 (0.74) NOS1PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4451911 0.86 NOS1 (0.79) NOS1PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3755345 0.85 NOS1 (0.76) NOS1PIK3CAPIK3CGPIK3CDLRRK2
SCHEMBL3760682 0.85 NOS1 (0.76) NOS1PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3766688 0.84 NOS1 (0.72) NOS1PIK3CAMTORPIK3CGPIK3CD
SCHEMBL5317835 0.84 NOS1 (1.00) NOS1PIK3CAMTORPIK3CGPIK3CD
Water SCHEMBL6491267 0.83 NOS1 (0.98) NOS1PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3755691 0.82 NOS1 (0.69) NOS1PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3765984 0.82 NOS1 (0.58) NOS1PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3755637 0.82 NOS1 (0.72) NOS1PIK3CAMTORPIK3CGPIK3CD

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 7 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
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 2154/4885PIK3CA 2351/4885MTOR 3424/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CA 2351/4885MTOR 3424/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CA 2351/4885MTOR 3424/4885

“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.