SCHEMBL3759930

SCHEMBL3759930

CCOc1nc(N)nc2ncc(-c3ccc([N+](=O)[O-])cc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.44
PIK3CG P48736 2/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
DHFR P00374 2/20 0.41
AGPAT2 O15120 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3769855 0.87 MAPT (0.43) NOS1RAB9ANPC1PIK3CGMAPT
SCHEMBL3768149 0.87 RAB9A (0.49) NOS1RAB9ANPC1PIK3CGMAPT
SCHEMBL3755599 0.84 NOS1 (0.52) NOS1NPC1PIK3CGMAPT
SCHEMBL3760769 0.84 NOS1 (0.47) NOS1PIK3CG
SCHEMBL4456209 0.83 NOS1 (0.57) NOS1NPC1PIK3CGMAPTLMNA
SCHEMBL3755577 0.83 NOS1 (0.61) NOS1PIK3CG
SCHEMBL3768128 0.83 PIK3CG (0.49) NOS1RAB9ANPC1PIK3CGMAPT
SCHEMBL3760805 0.83 NOS1 (0.47) NOS1PIK3CG
SCHEMBL3761214 0.82 PIK3CG (0.49) NOS1PIK3CG
SCHEMBL3759871 0.82 NOS1 (0.51) NOS1RAB9ANPC1PIK3CGMAPT

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 2154/4885RAB9A 1998/4885NPC1 2360/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885RAB9A 1998/4885NPC1 2360/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885RAB9A 1998/4885NPC1 2360/4885

“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.