SCHEMBL3755652

SCHEMBL3755652

Nc1nc(N2CCOCC2)c2nc(-c3cccc(OC(F)(F)F)c3)cnc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.68
DYRK1A Q13627 2/20 0.48
ATR Q13535 1/20 0.45
PRKDC P78527 1/20 0.45
PIK3CA P42336 3/20 0.44
AKT1 P31749 2/20 0.44
MTOR P42345 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DHFR P00374 1/20 0.42
GAK O14976 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL4779084 0.93 NOS1 (0.58) NOS1DYRK1AATRPRKDCPIK3CA
SCHEMBL3760403 0.88 NOS1 (0.76) NOS1PRKDCPIK3CAAKT1MTOR
SCHEMBL3765387 0.87 NOS1 (0.78) NOS1PIK3CACYP1A2CYP3A4CYP2C9
SCHEMBL3755691 0.86 NOS1 (0.69) NOS1PIK3CAAKT1MTORCYP1A2
SCHEMBL3755637 0.85 NOS1 (0.72) NOS1ATRPIK3CAAKT1MTOR
SCHEMBL3760682 0.84 NOS1 (0.76) NOS1PIK3CAMTORMAPK1HSD17B10
SCHEMBL4451911 0.84 NOS1 (0.79) NOS1ATRPRKDCPIK3CAMTOR
SCHEMBL3755265 0.83 NOS1 (0.66) NOS1PIK3CAAKT1MTORGAK
SCHEMBL3761333 0.83 NOS1 (0.64) NOS1ATRPIK3CAAKT1MTOR
SCHEMBL3755345 0.82 NOS1 (0.76) NOS1PIK3CATSHRHSD17B10GAK

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-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections GILEAD SCIENCES, INC. (US) 2018-12-04 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 2154/4885DYRK1A 4226/4885ATR 2767/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885DYRK1A 4226/4885ATR 2767/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885DYRK1A 4226/4885ATR 2767/4885

“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.