SCHEMBL3759542

SCHEMBL3759542

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PIK3CD O00329 1/20 0.46
ATR Q13535 1/20 0.43
TLR8 Q9NR97 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
DHFR P00374 1/20 0.41
NOS1 P29475 4/20 0.41
XDH P47989 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MPO P05164 1/20 0.39

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
SCHEMBL3752767 0.89 NOS1 (0.40) PIK3CGPIK3CAPIK3CBHDAC6DHFR
SCHEMBL3763805 0.86 NOS1 (0.47) PIK3CGTLR8NOS1MPO
SCHEMBL3764208 0.85 PIK3CG (0.49) PIK3CGPIK3CAPIK3CBHDAC6ATR
SCHEMBL3755631 0.85 ATR (0.46) PIK3CGPIK3CAPIK3CBHDAC6ATR
SCHEMBL3759384 0.84 PIK3CG (0.50) PIK3CGPIK3CAPIK3CBHDAC6CYP3A4
SCHEMBL4532151 0.83 MAP4K4 (0.44) PIK3CGPIK3CAPIK3CDTLR8CYP1A2
SCHEMBL3760491 0.83 PIK3CG (0.49) PIK3CGPIK3CAPIK3CBHDAC6DHFR
SCHEMBL5523485 0.82 NOS1 (0.55) PIK3CGPIK3CAPIK3CBHDAC6NOS1
SCHEMBL3755318 0.82 NOS1 (0.51) PIK3CGPIK3CAPIK3CBHDAC6ATR
SCHEMBL3761085 0.82 MPO (0.43) CYP1A2CYP3A4CYP2C19DHFRNOS1

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.