SCHEMBL3765490

SCHEMBL3765490

Cn1cc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cn1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.70
LRRK2 Q5S007 2/20 0.46
PIK3CA P42336 3/20 0.43
ADK P55263 3/20 0.42
PIM1 P11309 2/20 0.42
PDE10A Q9Y233 1/20 0.42
GAK O14976 1/20 0.41
TTK P33981 1/20 0.40
PIK3CD O00329 1/20 0.40

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
SCHEMBL4882526 0.88 NOS1 (0.58) NOS1ADK
SCHEMBL3755618 0.87 NOS1 (0.62) NOS1LRRK2PIK3CAADKPIK3CD
SCHEMBL3760285 0.85 NOS1 (0.59) NOS1LRRK2PIK3CAADK
SCHEMBL3763715 0.84 NOS1 (0.78) NOS1PIK3CAPIK3CD
SCHEMBL3763426 0.84 NOS1 (0.61) NOS1LRRK2PIK3CAADKPIM1
SCHEMBL3755584 0.83 NOS1 (0.76) NOS1PIK3CAADKPDE10AGAK
SCHEMBL3765844 0.82 NOS1 (0.82) NOS1PIK3CAADKPIM1GAK
SCHEMBL5317835 0.82 NOS1 (1.00) NOS1PIK3CAADKPIM1PIK3CD
SCHEMBL4450316 0.82 NOS1 (0.82) NOS1PIK3CAADKGAKPIK3CD
SCHEMBL3765188 0.81 NOS1 (0.60) NOS1LRRK2PIK3CAADKPIK3CD

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 2154/4885LRRK2 1434/4885PIK3CA 2351/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885LRRK2 1434/4885PIK3CA 2351/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885LRRK2 1434/4885PIK3CA 2351/4885

“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.