SCHEMBL3755253

SCHEMBL3755253

CCOc1nc(N)nc2ncc(-c3cc(F)ccc3F)nc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.39
DHFR P00374 3/20 0.38
MPO P05164 3/20 0.38
NOS1 P29475 8/20 0.38
PIK3CG P48736 3/20 0.37
TLR7 Q9NYK1 1/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL3765540 0.91 MPO (0.38) DHFRMPONOS1PIK3CGPIK3CA
SCHEMBL3761952 0.88 NOS1 (0.45) DHFRMPONOS1
SCHEMBL3764007 0.87 TLR8 (0.39) DHFRMPONOS1PIK3CGPIK3CA
SCHEMBL3760895 0.87 MPO (0.40) MPONOS1PIK3CGPIK3CA
SCHEMBL3755488 0.87 NOS1 (0.37) DHFRMPONOS1PIK3CGPIK3CA
SCHEMBL3752631 0.86 NOS1 (0.43) MPONOS1
SCHEMBL3755716 0.85 NOS1 (0.40) GRIN2BMPONOS1PIK3CGPIK3CA
SCHEMBL4408579 0.83 NOS1 (0.50) MPONOS1PIK3CGPIK3CAPIK3CB
SCHEMBL4530939 0.82 HSP90AA1 (0.35) GRIN2BDHFRMPOTLR7
SCHEMBL3757239 0.82 NOS1 (0.46) NOS1PIK3CGPIK3CAPIK3CBHDAC6

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 GRIN2B 4409/4885DHFR 10/4885MPO 2288/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 GRIN2B 4409/4885DHFR 10/4885MPO 2288/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 GRIN2B 4409/4885DHFR 10/4885MPO 2288/4885

“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.