SCHEMBL3765540

SCHEMBL3765540

CCOc1nc(N)nc2ncc(-c3ccc(F)cc3F)nc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.38
NOS1 P29475 7/20 0.38
PIK3CA P42336 2/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
DHFR P00374 3/20 0.36
MTOR P42345 1/20 0.36
GRM5 P41594 2/20 0.35
PIK3CG P48736 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 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
SCHEMBL3755253 0.91 GRIN2B (0.39) MPONOS1PIK3CADHFRPIK3CG
SCHEMBL3760895 0.90 MPO (0.40) MPONOS1PIK3CAMAPTPIK3CG
SCHEMBL3764007 0.90 TLR8 (0.39) MPONOS1PIK3CADHFRGRM5
SCHEMBL3755488 0.87 NOS1 (0.37) MPONOS1PIK3CADHFRPIK3CG
SCHEMBL3752631 0.86 NOS1 (0.43) MPONOS1NPC1RAB9AALOX5AP
SCHEMBL3761952 0.85 NOS1 (0.45) MPONOS1DHFR
SCHEMBL4780469 0.85 NOS1 (0.36) MPONOS1PIK3CANPC1MAPT
SCHEMBL3755716 0.85 NOS1 (0.40) MPONOS1PIK3CAPIK3CGALOX5AP
SCHEMBL3757183 0.84 NOS1 (0.37) MPONOS1PIK3CANPC1RAB9A
SCHEMBL4408579 0.83 NOS1 (0.50) MPONOS1PIK3CAPIK3CG

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 5 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
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 MPO 2288/4885NOS1 2154/4885PIK3CA 2351/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 MPO 2288/4885NOS1 2154/4885PIK3CA 2351/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 MPO 2288/4885NOS1 2154/4885PIK3CA 2351/4885

“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.