SCHEMBL3755728

SCHEMBL3755728

CCOc1nc(N)nc2ncc(-c3cccc(N(C)C)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NOS1 P29475 10/20 0.45
MET P08581 1/20 0.41
FYN P06241 1/20 0.38
ATR Q13535 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
DHFR P00374 1/20 0.38
ADK P55263 1/20 0.38

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
SCHEMBL3765206 0.86 NOS1 (0.54) PIK3CGNOS1ADK
SCHEMBL3759384 0.85 PIK3CG (0.50) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3764208 0.84 PIK3CG (0.49) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3760491 0.84 PIK3CG (0.49) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL5523485 0.83 NOS1 (0.55) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3755318 0.83 NOS1 (0.51) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3762280 0.83 PIK3CG (0.47) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3755494 0.82 PIK3CG (0.47) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3760516 0.82 PIK3CG (0.50) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL6063670 0.82 NOS1 (0.46) PIK3CGPIK3CAPIK3CBHDAC6NOS1

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 PIK3CG 2660/4885PIK3CA 2351/4885PIK3CB 2015/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 PIK3CG 2660/4885PIK3CA 2351/4885PIK3CB 2015/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 PIK3CG 2660/4885PIK3CA 2351/4885PIK3CB 2015/4885

“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.