SCHEMBL3755572

SCHEMBL3755572

CCOc1nc(N)nc2ncc(-c3ccc(OCCCN(C)C)nc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.48
CHEK2 O96017 1/20 0.43
NOS1 P29475 4/20 0.42
FYN P06241 3/20 0.41
ATM Q13315 7/20 0.41
TLR7 Q9NYK1 1/20 0.40
PAICS P22234 1/20 0.40
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38

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
Dimethylamine SCHEMBL3755578 0.85 NOS1 (0.41) NOS1
SCHEMBL3760499 0.84 NOS1 (0.50) ATRNOS1
SCHEMBL3766641 0.80 NOS1 (0.46) NOS1
SCHEMBL3755461 0.80 NOS1 (0.47) NOS1
SCHEMBL3755697 0.79 NOS1 (0.46) NOS1
SCHEMBL3769854 0.78 NOS1 (0.62) ATRCHEK2NOS1ATM
SCHEMBL3765206 0.78 NOS1 (0.54) NOS1
SCHEMBL3764015 0.78 NOS1 (0.46) NOS1
SCHEMBL3756831 0.78 NOS1 (0.46) NOS1
SCHEMBL3761214 0.78 PIK3CG (0.49) NOS1

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-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
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 ATR 2767/4885CHEK2 3405/4885NOS1 2154/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 ATR 2767/4885CHEK2 3405/4885NOS1 2154/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 ATR 2767/4885CHEK2 3405/4885NOS1 2154/4885

“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.