SCHEMBL3764007

SCHEMBL3764007

CCOc1nc(N)nc2ncc(-c3ccc(F)cc3C)nc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.39
GRM5 P41594 3/20 0.37
MPO P05164 3/20 0.37
NOS1 P29475 7/20 0.37
DHFR P00374 3/20 0.37
PIK3CA P42336 1/20 0.37
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
PIK3CG P48736 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 0.90 MPO (0.38) GRM5MPONOS1DHFRPIK3CA
SCHEMBL3760895 0.89 MPO (0.40) MPONOS1PIK3CAPIK3CG
SCHEMBL3760830 0.88 NOS1 (0.38) MPONOS1DHFRPIK3CAPIK3CG
SCHEMBL3755253 0.87 GRIN2B (0.39) MPONOS1DHFRPIK3CAPIK3CG
SCHEMBL3761952 0.84 NOS1 (0.45) MPONOS1DHFR
SCHEMBL3769692 0.83 NOS1 (0.44) MPONOS1
SCHEMBL4525891 0.83 TLR8 (0.40) TLR8GRM5MPODHFR
SCHEMBL4408579 0.82 NOS1 (0.50) MPONOS1PIK3CAPIK3CG
SCHEMBL3755716 0.81 NOS1 (0.40) MPONOS1PIK3CAPIK3CG
SCHEMBL3765405 0.81 ROCK2 (0.39) MPONOS1PIK3CG

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 TLR8 211/4885GRM5 2999/4885MPO 2288/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 TLR8 211/4885GRM5 2999/4885MPO 2288/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 TLR8 211/4885GRM5 2999/4885MPO 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.