SCHEMBL3752593

SCHEMBL3752593

Nc1nc(N2CCOCC2)c2nc(-c3cc(F)c(F)c(F)c3)cnc2n1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.70
ADK P55263 3/20 0.45
GAK O14976 1/20 0.43
KDM4E B2RXH2 1/20 0.40
PIK3CA P42336 8/20 0.39
MTOR P42345 4/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CG P48736 3/20 0.39
PRKDC P78527 1/20 0.38
MAP3K12 Q12852 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CB P42338 1/20 0.37
RPTOR Q8N122 1/20 0.37
MLST8 Q9BVC4 1/20 0.37

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
SCHEMBL3763559 0.90 NOS1 (0.71) NOS1ADKGAKKDM4EPIK3CA
SCHEMBL3757261 0.86 NOS1 (0.67) NOS1ADKGAKPIK3CAMTOR
SCHEMBL3759306 0.85 NOS1 (0.71) NOS1ADKGAKPIK3CAMTOR
SCHEMBL3763715 0.84 NOS1 (0.78) NOS1PIK3CAMTORPIK3CDPIK3CG
SCHEMBL3765478 0.84 NOS1 (0.67) NOS1ADKGAKPIK3CAMTOR
SCHEMBL3756792 0.84 NOS1 (0.67) NOS1ADKGAKPIK3CAMTOR
SCHEMBL3760682 0.84 NOS1 (0.76) NOS1ADKGAKKDM4EPIK3CA
SCHEMBL3755584 0.83 NOS1 (0.76) NOS1ADKGAKKDM4EPIK3CA
SCHEMBL3757061 0.83 NOS1 (0.72) NOS1ADKGAKPIK3CAMTOR
SCHEMBL3760459 0.83 NOS1 (0.65) NOS1ADKGAKPIK3CGALOX5AP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2266/4885GAK 2047/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885GAK 2047/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885GAK 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.