SCHEMBL3752778

SCHEMBL3752778

CCOc1nc(N)nc2ncc(-c3ccc(C)cc3N)nc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.42
MPO P05164 1/20 0.39
DHFR P00374 1/20 0.36
PIK3CG P48736 3/20 0.35
PIK3CA P42336 2/20 0.34
PIK3CB P42338 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
PIN1 Q13526 2/20 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
SCHEMBL3761138 0.91 NOS1 (0.42) NOS1MPODHFRPIK3CGPIK3CA
SCHEMBL3766675 0.85 NOS1 (0.46) NOS1DHFR
SCHEMBL3760830 0.83 NOS1 (0.38) NOS1MPODHFRPIK3CGPIK3CA
SCHEMBL3765359 0.83 ALDH1A1 (0.39) NOS1MPODHFRPIK3CGPIK3CA
SCHEMBL3755577 0.83 NOS1 (0.61) NOS1MPOPIK3CGPIK3CAPIK3CB
SCHEMBL3768010 0.81 NOS1 (0.44) NOS1MPODHFRPIK3CGPIK3CA
SCHEMBL3764007 0.81 TLR8 (0.39) NOS1MPODHFRPIK3CGPIK3CA
SCHEMBL3758392 0.81 BRAF (0.45) NOS1MPODHFRPIK3CGPIK3CA
SCHEMBL3757233 0.81 MAPT (0.48) NOS1MPODHFR
SCHEMBL3769692 0.81 NOS1 (0.44) NOS1MPO

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-05-23 US claimed
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 NOS1 2154/4885MPO 2288/4885DHFR 10/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885MPO 2288/4885DHFR 10/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885MPO 2288/4885DHFR 10/4885

“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.