SCHEMBL3755265

SCHEMBL3755265

N#CCOc1cccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.66
MAOB P27338 2/20 0.42
GAK O14976 2/20 0.40
PIK3CA P42336 4/20 0.40
PIK3CG P48736 2/20 0.40
PIK3CB P42338 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAOA P21397 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MET P08581 1/20 0.39
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CARM1 Q86X55 1/20 0.38
ACHE P22303 1/20 0.38
ADK P55263 2/20 0.38
AKT1 P31749 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL3760307 0.89 NOS1 (0.73) NOS1MAOBGAKPIK3CAPIK3CG
SCHEMBL3755691 0.88 NOS1 (0.69) NOS1GAKPIK3CAPIK3CGPIK3CB
SCHEMBL3765387 0.86 NOS1 (0.78) NOS1GAKPIK3CAPIK3CGPIK3CB
SCHEMBL3761333 0.85 NOS1 (0.64) NOS1GAKPIK3CAPIK3CGPIK3CB
SCHEMBL3752584 0.84 NOS1 (0.72) NOS1PIK3CAPIK3CGPIK3CBHDAC6
SCHEMBL3755652 0.83 NOS1 (0.68) NOS1GAKPIK3CAPIK3CGPIK3CB
SCHEMBL4451911 0.82 NOS1 (0.79) NOS1GAKPIK3CAPIK3CGPIK3CB
SCHEMBL4779084 0.82 NOS1 (0.58) NOS1PIK3CAPIK3CGADORA2AADORA1
SCHEMBL3760893 0.81 NOS1 (0.62) NOS1MAOBGAKPIK3CAPIK3CG
Water SCHEMBL6491267 0.81 NOS1 (0.98) NOS1PIK3CAPIK3CGADORA2AADK

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 2154/4885MAOB 410/4885GAK 2047/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885MAOB 410/4885GAK 2047/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885MAOB 410/4885GAK 2047/4885

“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.