SCHEMBL3761241

SCHEMBL3761241

CCOc1nc(N)nc2ncc(-c3ccc(CP(=O)(O)O)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.44
NOS1 P29475 14/20 0.44
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ACVR1 Q04771 1/20 0.35

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
SCHEMBL4780469 0.88 NOS1 (0.36) PIK3CGNOS1PIK3CA
SCHEMBL3759861 0.85 PIK3CG (0.49) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL4452143 0.85 NOS1 (0.50) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL4453732 0.83 PIK3CG (0.49) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL3766655 0.83 PIK3CG (0.65) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL3755599 0.82 NOS1 (0.52) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL3755577 0.81 NOS1 (0.61) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL4456209 0.81 NOS1 (0.57) PIK3CGNOS1
SCHEMBL4452145 0.81 PIK3CG (0.47) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL3755444 0.81 PIK3CG (0.47) PIK3CGNOS1TLR8

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

“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.