SCHEMBL3767367

SCHEMBL3767367

CCOc1nc(N)nc2ncc(-c3ccc(NC(=O)OC)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.46
PIK3CG P48736 2/20 0.44
MAPKAPK2 P49137 2/20 0.40
ATR Q13535 4/20 0.39
ENPP1 P22413 1/20 0.39
PIK3CA P42336 1/20 0.39
PRKDC P78527 2/20 0.39
MAPT P10636 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
SCHEMBL3761399 0.90 PIK3CA (0.46) NOS1PIK3CGATRPIK3CAPRKDC
SCHEMBL4782311 0.87 NOS1 (0.42) NOS1ATRENPP1MAPT
SCHEMBL3758126 0.86 JAK2 (0.47) NOS1PIK3CGATRENPP1MAPT
SCHEMBL3769952 0.85 NOS1 (0.47) NOS1PIK3CGPIK3CAMAPT
SCHEMBL3765843 0.84 NOS1 (0.48) NOS1PIK3CGPIK3CA
SCHEMBL823755 0.84 PDE4A (0.41) MAPKAPK2ENPP1MAPT
SCHEMBL3766597 0.84 ATR (0.46) NOS1PIK3CGATR
SCHEMBL3761237 0.83 PIK3CG (0.45) NOS1PIK3CGPIK3CA
SCHEMBL4781218 0.83 PIK3CA (0.41) NOS1PIK3CGATRPIK3CAMAPT
SCHEMBL3755444 0.82 PIK3CG (0.47) NOS1PIK3CGATRPRKDC

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-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

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 2154/4885PIK3CG 2660/4885MAPKAPK2 4270/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CG 2660/4885MAPKAPK2 4270/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CG 2660/4885MAPKAPK2 4270/4885

“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.