SCHEMBL3759384

SCHEMBL3759384

CCOc1cccc(-c2cnc3nc(N)nc(OCC)c3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NOS1 P29475 6/20 0.45
FGFR1 P11362 2/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
MAOB P27338 2/20 0.44
S1PR1 P21453 1/20 0.44
NOTUM Q6P988 1/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
MAP4K4 O95819 1/20 0.41
DHFR P00374 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL3755318 0.93 NOS1 (0.51) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3769759 0.90 MAOB (0.46) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3755631 0.89 ATR (0.46) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3769900 0.88 PIK3CG (0.44) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3766003 0.88 PIK3CG (0.44) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3760491 0.87 PIK3CG (0.49) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3764208 0.87 PIK3CG (0.49) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL5523485 0.86 NOS1 (0.55) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3757231 0.86 NOS1 (0.53) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3760516 0.85 PIK3CG (0.50) 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 6 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
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.