SCHEMBL3758229

SCHEMBL3758229

CCOc1nc(N)nc2ncc(-c3ccc(OC)c(C=O)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.52
ERN1 O75460 4/20 0.41
PIK3CG P48736 3/20 0.40
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NEK2 P51955 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
SCHEMBL4454283 0.87 NOS1 (0.67) NOS1PIK3CGPIK3CA
SCHEMBL3756936 0.84 NOS1 (0.55) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3762199 0.84 NOS1 (0.57) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3766480 0.82 NOS1 (0.55) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3759871 0.82 NOS1 (0.51) NOS1PIK3CG
SCHEMBL3760447 0.82 DHFR (0.44) NOS1
SCHEMBL3765576 0.82 NOS1 (0.50) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3765638 0.80 PIK3CG (0.46) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3762579 0.80 NOS1 (0.51) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3767322 0.80 NOS1 (0.44) NOS1

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 claimed
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
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 2154/4885ERN1 726/4885PIK3CG 2660/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ERN1 726/4885PIK3CG 2660/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ERN1 726/4885PIK3CG 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.