SCHEMBL3763402

SCHEMBL3763402

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.46
NOS1 P29475 5/20 0.44
TLR8 Q9NR97 1/20 0.44
ALOX5AP P20292 1/20 0.39
SLC6A3 Q01959 4/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 1/20 0.39
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CFTR P13569 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SDHB P21912 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
BRS3 P32247 1/20 0.36

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
SCHEMBL3760980 0.92 NOS1 (0.44) NOS1ALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL3759836 0.89 NOS1 (0.42) ATRNOS1TLR8ALOX5APPTPN1
SCHEMBL3760449 0.82 NOS1 (0.44) ATRNOS1TLR8ALDH1A1LMNA
SCHEMBL3762579 0.82 NOS1 (0.51) NOS1
SCHEMBL4452427 0.81 HSP90AA1 (0.46) ATRNOS1PTPN1ALDH1A1HSD17B10
SCHEMBL3769692 0.81 NOS1 (0.44) ATRNOS1PTPN1ALDH1A1
SCHEMBL3762339 0.81 NOS1 (0.44) NOS1ALDH1A1
SCHEMBL3769952 0.81 NOS1 (0.47) NOS1TLR8ALDH1A1SMN1; SMN2
SCHEMBL3765399 0.81 PIK3CG (0.49) NOS1
SCHEMBL3758232 0.80 PIK3CG (0.47) 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 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 ATR 2767/4885NOS1 2154/4885TLR8 211/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 ATR 2767/4885NOS1 2154/4885TLR8 211/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 ATR 2767/4885NOS1 2154/4885TLR8 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.