SCHEMBL3766529

SCHEMBL3766529

CN(C)C(=O)c1cccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.67
PIK3CA P42336 5/20 0.48
ATR Q13535 3/20 0.47
ATRIP Q8WXE1 1/20 0.47
CDK1 P06493 2/20 0.46
CDK2 P24941 2/20 0.46
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
MTOR P42345 3/20 0.45
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
STK4 Q13043 1/20 0.43

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
SCHEMBL3765144 0.90 NOS1 (0.63) NOS1PIK3CAATRMTORPIK3CB
SCHEMBL3760104 0.90 NOS1 (0.60) NOS1PIK3CAATRATRIPMTOR
SCHEMBL3766688 0.89 NOS1 (0.72) NOS1PIK3CAATRATRIPMTOR
SCHEMBL3762839 0.87 NOS1 (0.67) NOS1PIK3CAATRMTORPIK3CB
SCHEMBL3760110 0.85 NOS1 (0.59) NOS1PIK3CAATRMTORPIK3CB
SCHEMBL3752786 0.85 NOS1 (0.63) NOS1PIK3CAATRMTORPIK3CB
SCHEMBL3765785 0.85 NOS1 (0.63) NOS1PIK3CAATRMKNK1MKNK2
SCHEMBL3758424 0.85 NOS1 (0.63) NOS1PIK3CAMTORALDH1A1TP53
SCHEMBL3760448 0.85 NOS1 (0.72) NOS1PIK3CAATRATRIPMTOR
SCHEMBL4451911 0.83 NOS1 (0.79) NOS1PIK3CAATRMTORPIK3CB

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 2154/4885PIK3CA 2351/4885ATR 2767/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CA 2351/4885ATR 2767/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CA 2351/4885ATR 2767/4885

“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.