SCHEMBL3763207

SCHEMBL3763207

CCOc1nc(N)nc2ncc(-c3cnn(C(=O)OC(C)(C)C)c3)nc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
NOS1 P29475 11/20 0.36
PIK3CG P48736 3/20 0.34
PIK3CA P42336 2/20 0.33
PIK3CB P42338 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SCD O00767 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL3763004 0.79 NOS1 (0.43) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3757193 0.79 CSF1R (0.44) NOS1PIK3CG
SCHEMBL3760162 0.79 PIK3CG (0.48) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3763461 0.79 NOS1 (0.57) ROCK2NOS1PIK3CGPIK3CAPIK3CB
SCHEMBL3765214 0.78 HSP90AA1 (0.54) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3760265 0.77 PIK3CG (0.45) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3760900 0.76 MAPK1 (0.43) NOS1PIK3CGPIK3CAPIK3CB
SCHEMBL3769859 0.75 CKS1B (0.44) PIK3CA
SCHEMBL31452737 0.75 PIK3CA (0.45) ROCK2PIK3CASCD
SCHEMBL3765134 0.74 MAPK1 (0.43) NOS1PIK3CGPIK3CA

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 ROCK2 4659/4885NOS1 2154/4885PIK3CG 2660/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 ROCK2 4659/4885NOS1 2154/4885PIK3CG 2660/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 ROCK2 4659/4885NOS1 2154/4885PIK3CG 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.