SCHEMBL3770036

SCHEMBL3770036

Nc1nc(N2CCOCC2)c2nc(-c3ccco3)cnc2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.70
STK4 Q13043 1/20 0.45
STK3 Q13188 1/20 0.45
KMT2A Q03164 1/20 0.43
PIK3CA P42336 4/20 0.41
PIK3CD O00329 3/20 0.41
MTOR P42345 2/20 0.41
PIK3CG P48736 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADK P55263 2/20 0.40
HRH1 P35367 2/20 0.40
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
KCNH2 Q12809 1/20 0.40
DHFR P00374 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
SCHEMBL5317835 0.82 NOS1 (1.00) NOS1PIK3CAPIK3CDMTORPIK3CG
SCHEMBL4116890 0.81 NOS1 (0.48) NOS1STK4STK3KMT2APIK3CA
Water SCHEMBL6491267 0.81 NOS1 (0.98) NOS1PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3759341 0.81 NOS1 (0.65) NOS1PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3760293 0.81 NOS1 (0.68) NOS1KMT2APIK3CAPIK3CDMTOR
SCHEMBL3762228 0.81 NOS1 (0.95) NOS1PIK3CAPIK3CDMTORPIK3CG
SCHEMBL4450316 0.80 NOS1 (0.82) NOS1PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3765844 0.80 NOS1 (0.82) NOS1KMT2APIK3CAPIK3CDMTOR
SCHEMBL3763715 0.80 NOS1 (0.78) NOS1PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3755241 0.80 NOS1 (0.73) NOS1STK4STK3PIK3CAPIK3CD

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 2154/4885STK4 2123/4885STK3 2646/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885STK4 2123/4885STK3 2646/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885STK4 2123/4885STK3 2646/4885

“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.