SCHEMBL3765089

SCHEMBL3765089

Nc1nc(N2CCOCC2)c2nccnc2n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.59
PIK3CD O00329 5/20 0.48
PIK3CA P42336 5/20 0.48
PIK3CG P48736 4/20 0.48
MTOR P42345 3/20 0.48
ADORA2A P29274 1/20 0.47
NUDT1 P36639 1/20 0.46
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
PRKDC P78527 1/20 0.42
IKBKB O14920 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ADK P55263 1/20 0.41

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
SCHEMBL14304541 0.81 NOS1 (0.65) NOS1PIK3CDPIK3CAPIK3CGMTOR
SCHEMBL3766389 0.80 NOS1 (0.64) NOS1PIK3CDPIK3CAPIK3CGMTOR
SCHEMBL14302977 0.80 NOS1 (0.64) NOS1PIK3CDPIK3CAPIK3CGMTOR
SCHEMBL3763715 0.76 NOS1 (0.78) NOS1PIK3CDPIK3CAPIK3CGMTOR
SCHEMBL3765481 0.76 NOS1 (0.80) NOS1PIK3CDPIK3CAPIK3CGMTOR
SCHEMBL3763559 0.76 NOS1 (0.71) NOS1PIK3CDPIK3CAPIK3CGMTOR
SCHEMBL3755584 0.76 NOS1 (0.76) NOS1PIK3CDPIK3CAPIK3CGMTOR
SCHEMBL3760492 0.75 NOS1 (0.66) NOS1PIK3CDPIK3CAPIK3CGMTOR
SCHEMBL3767286 0.75 NOS1 (0.66) NOS1PIK3CDPIK3CAPIK3CGMTOR
SCHEMBL3756751 0.75 NOS1 (0.67) NOS1PIK3CDPIK3CAPIK3CGMTOR

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 disclosed
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
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-12-02 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 2154/4885PIK3CD 2324/4885PIK3CA 2351/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CD 2324/4885PIK3CA 2351/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CD 2324/4885PIK3CA 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.