SCHEMBL3761333

SCHEMBL3761333

Nc1nc(N2CCOCC2)c2nc(-c3cccc(OCC4OCCO4)c3)cnc2n1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.64
PIK3CA P42336 5/20 0.41
PIK3CG P48736 2/20 0.41
PIK3CB P42338 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CARM1 Q86X55 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
GAK O14976 2/20 0.40
NEK2 P51955 1/20 0.40
MET P08581 1/20 0.38
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
LRRK2 Q5S007 1/20 0.38
ADK P55263 2/20 0.37
AKT1 P31749 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CD O00329 1/20 0.37
ATR Q13535 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
SCHEMBL3755691 0.87 NOS1 (0.69) NOS1PIK3CAPIK3CGPIK3CBHDAC6
SCHEMBL3765387 0.85 NOS1 (0.78) NOS1PIK3CAPIK3CGPIK3CBHDAC6
SCHEMBL3755265 0.85 NOS1 (0.66) NOS1PIK3CAPIK3CGPIK3CBHDAC6
SCHEMBL3755652 0.83 NOS1 (0.68) NOS1PIK3CAPIK3CGPIK3CBHDAC6
SCHEMBL3762301 0.82 NOS1 (0.59) NOS1PIK3CAPIK3CGPIK3CBHDAC6
SCHEMBL4451911 0.82 NOS1 (0.79) NOS1PIK3CAPIK3CGPIK3CBHDAC6
SCHEMBL3766003 0.81 PIK3CG (0.44) NOS1PIK3CAPIK3CGPIK3CBHDAC6
SCHEMBL3752641 0.81 NOS1 (0.72) NOS1PIK3CAPIK3CGPIK3CBHDAC6
SCHEMBL3760682 0.80 NOS1 (0.76) NOS1PIK3CAPIK3CGPIK3CBHDAC6
SCHEMBL3755345 0.80 NOS1 (0.76) NOS1PIK3CAPIK3CGPIK3CBHDAC6

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-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
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 2154/4885PIK3CA 2351/4885PIK3CG 2660/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CA 2351/4885PIK3CG 2660/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CA 2351/4885PIK3CG 2660/4885

“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.