SCHEMBL3769939

SCHEMBL3769939

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cnc4nc(N)nc(N5CCOCC5)c4n3)ccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.54
TBK1 Q9UHD2 2/20 0.45
PIK3CA P42336 8/20 0.43
MAP4K4 O95819 1/20 0.42
LRRK2 Q5S007 1/20 0.42
PIK3R1 P27986 5/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
KIT P10721 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
ATR Q13535 1/20 0.41
AURKB Q96GD4 1/20 0.41
PIK3CD O00329 2/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL3769859 0.84 CKS1B (0.44) TBK1PIK3CAMAP4K4LRRK2CKS1B
SCHEMBL3764506 0.84 NOS1 (0.63) NOS1PIK3CD
SCHEMBL3761885 0.81 NOS1 (0.57) NOS1PIK3CAPIK3R1MTORPIK3CG
SCHEMBL3763428 0.80 NOS1 (0.63) NOS1ATRPIK3CD
SCHEMBL3752786 0.80 NOS1 (0.63) NOS1PIK3CALRRK2MTORPIK3CG
SCHEMBL3763461 0.79 NOS1 (0.57) NOS1PIK3CAPIK3R1MTORPIK3CG
SCHEMBL3769699 0.79 NOS1 (0.67) NOS1PIK3CAPIK3R1MTORPIK3CG
SCHEMBL3760507 0.77 NOS1 (0.56) NOS1PIK3CAPIK3R1MTORPIK3CG
SCHEMBL3758135 0.76 NOS1 (0.59) NOS1PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3764357 0.75 NOS1 (0.69) NOS1PIK3CALRRK2PIK3R1MTOR

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 2154/4885TBK1 1005/4885PIK3CA 2351/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885TBK1 1005/4885PIK3CA 2351/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885TBK1 1005/4885PIK3CA 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.