SCHEMBL3760190

SCHEMBL3760190

Nc1nc(N2CCOCC2)c2nc(-c3cccc(F)c3F)cnc2n1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.66
LRRK2 Q5S007 4/20 0.51
CNR2 P34972 1/20 0.47
PIK3CA P42336 3/20 0.41
PIK3CD O00329 2/20 0.41
MTOR P42345 2/20 0.41
PIK3CG P48736 2/20 0.41
ATR Q13535 1/20 0.41
ATRIP Q8WXE1 1/20 0.41
ADK P55263 2/20 0.40
STK4 Q13043 1/20 0.40
STK3 Q13188 1/20 0.40
KDM4E B2RXH2 1/20 0.38
AR P10275 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3761859 0.91 NOS1 (0.72) NOS1LRRK2CNR2PIK3CAPIK3CD
SCHEMBL3758421 0.90 NOS1 (0.64) NOS1LRRK2PIK3CAPIK3CDMTOR
SCHEMBL3760462 0.88 NOS1 (0.70) NOS1LRRK2PIK3CAPIK3CDMTOR
SCHEMBL3760492 0.85 NOS1 (0.66) NOS1PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3767250 0.84 NOS1 (0.71) NOS1LRRK2PIK3CAPIK3CDMTOR
SCHEMBL3760913 0.84 NOS1 (0.73) NOS1PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3764134 0.83 NOS1 (0.61) NOS1PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3767286 0.83 NOS1 (0.66) NOS1PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3756924 0.83 NOS1 (0.66) NOS1CNR2PIK3CAPIK3CDMTOR
SCHEMBL3758139 0.83 NOS1 (0.63) NOS1LRRK2PIK3CAPIK3CDMTOR

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
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

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 2154/4885LRRK2 1434/4885CNR2 4049/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885LRRK2 1434/4885CNR2 4049/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885LRRK2 1434/4885CNR2 4049/4885

“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.