SCHEMBL3758058

SCHEMBL3758058

N#Cc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.74
ADK P55263 3/20 0.48
JAK2 O60674 1/20 0.44
HRH4 Q9H3N8 4/20 0.42
HRH3 Q9Y5N1 2/20 0.42
PIK3CG P48736 1/20 0.42
AKT1 P31749 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR1D P28221 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
IKBKB O14920 1/20 0.42
GAK O14976 1/20 0.41
GRIA1 P42261 1/20 0.41

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
SCHEMBL3752584 0.88 NOS1 (0.72) NOS1PIK3CGAKT1PIK3CAMTOR
SCHEMBL4450316 0.88 NOS1 (0.82) NOS1ADKPIK3CGPIK3CAMTOR
SCHEMBL3765844 0.88 NOS1 (0.82) NOS1ADKPIK3CGPIK3CAMTOR
SCHEMBL3760307 0.87 NOS1 (0.73) NOS1ADKPIK3CGPIK3CAMTOR
Water SCHEMBL6491267 0.86 NOS1 (0.98) NOS1ADKPIK3CGPIK3CAMTOR
Hydrochloric Acid SCHEMBL6494704 0.86 NOS1 (0.76) NOS1ADKPIK3CGPIK3CAMTOR
SCHEMBL3762228 0.85 NOS1 (0.95) NOS1ADKPIK3CGPIK3CAMTOR
SCHEMBL5508882 0.85 NOS1 (0.79) NOS1ADKPIK3CGPIK3CAMTOR
SCHEMBL4450556 0.85 NOS1 (0.79) NOS1ADKPIK3CGPIK3CAMTOR
SCHEMBL5317835 0.85 NOS1 (1.00) NOS1ADKPIK3CGPIK3CAMTOR

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 2154/4885ADK 2266/4885JAK2 3100/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885JAK2 3100/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885JAK2 3100/4885

“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.