SCHEMBL3763791

SCHEMBL3763791

Nc1nc(N2CCOCC2)c2nc(-c3ccc(C=O)o3)cnc2n1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.62
ADK P55263 3/20 0.38
PIK3CA P42336 5/20 0.36
PIK3CD O00329 3/20 0.36
MTOR P42345 2/20 0.36
PIK3CG P48736 2/20 0.36
PRKDC P78527 1/20 0.36
GAK O14976 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CB P42338 1/20 0.34
GAA P10253 1/20 0.34
MGMT P16455 1/20 0.34

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
SCHEMBL3759341 0.84 NOS1 (0.65) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3760422 0.81 NOS1 (0.74) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3761325 0.80 NOS1 (0.63) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3763065 0.79 NOS1 (0.68) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3770036 0.78 NOS1 (0.70) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3755627 0.78 NOS1 (0.72) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3760293 0.77 NOS1 (0.68) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3765371 0.77 NOS1 (0.75) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL5317835 0.77 NOS1 (1.00) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3765844 0.77 NOS1 (0.82) NOS1ADKPIK3CAPIK3CDMTOR

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 2154/4885ADK 2266/4885PIK3CA 2351/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885PIK3CA 2351/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885PIK3CA 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.