SCHEMBL3759836

SCHEMBL3759836

CCOc1nc(N)nc2ncc(-c3ccccc3C(=O)OC(C)(C)C)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.42
ATR Q13535 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
HIF1A Q16665 2/20 0.35
THRB P10828 1/20 0.35
ALOX5AP P20292 1/20 0.34
PTPN1 P18031 1/20 0.34
TLR8 Q9NR97 1/20 0.34
KMT2A Q03164 2/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3763402 0.89 ATR (0.46) NOS1ATRALDH1A1ALOX5APPTPN1
SCHEMBL3760980 0.89 NOS1 (0.44) NOS1ALDH1A1KDM4EMAPTHPGD
SCHEMBL3763004 0.82 NOS1 (0.43) NOS1ATRNPC1RAB9A
SCHEMBL3760265 0.81 PIK3CG (0.45) NOS1NPC1RAB9A
SCHEMBL3760449 0.80 NOS1 (0.44) NOS1ATRALDH1A1MAPTHPGD
SCHEMBL3760760 0.79 ALOX5AP (0.42) NOS1ATRALOX5AP
SCHEMBL3769692 0.78 NOS1 (0.44) NOS1ATRALDH1A1PTPN1NPC1
SCHEMBL3762339 0.78 NOS1 (0.44) NOS1ALDH1A1KDM4E
SCHEMBL3760969 0.77 L3MBTL1 (0.47) NOS1ATRGAAPTPN1L3MBTL1
SCHEMBL3752631 0.77 NOS1 (0.43) NOS1ATRALDH1A1KDM4EALOX5AP

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 2154/4885ATR 2767/4885ALDH1A1 1548/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ATR 2767/4885ALDH1A1 1548/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ATR 2767/4885ALDH1A1 1548/4885

“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.