SCHEMBL3769952

SCHEMBL3769952

CCOc1nc(N)nc2ncc(-c3ccc(C(=O)OC)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.47
PIK3CG P48736 2/20 0.45
TLR8 Q9NR97 1/20 0.43
DHFR P00374 1/20 0.42
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PIK3CA P42336 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
SCHEMBL3755372 0.91 NPC1 (0.47) NOS1PIK3CGDHFRNPC1TP53
SCHEMBL4452145 0.89 PIK3CG (0.47) NOS1PIK3CGPIK3CA
SCHEMBL3755444 0.89 PIK3CG (0.47) NOS1PIK3CGTLR8MAPK1
SCHEMBL3763004 0.88 NOS1 (0.43) NOS1PIK3CGNPC1RAB9APIK3CA
SCHEMBL3758232 0.88 PIK3CG (0.47) NOS1PIK3CGDHFRNPC1RAB9A
SCHEMBL3764228 0.88 PRKDC (0.46) NOS1PIK3CGDHFRPIK3CA
SCHEMBL20985861 0.87 PIK3CG (0.44) NOS1PIK3CGDHFRMAPK1PIK3CA
SCHEMBL3752734 0.86 NOS1 (0.49) NOS1PIK3CGDHFRNPC1MAPK1
SCHEMBL3763567 0.85 NOS1 (0.48) NOS1PIK3CGDHFRNPC1MAPK1
SCHEMBL3767367 0.85 NOS1 (0.46) NOS1PIK3CGMAPTPIK3CA

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 2154/4885PIK3CG 2660/4885TLR8 211/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CG 2660/4885TLR8 211/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CG 2660/4885TLR8 211/4885

“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.