SCHEMBL3758185

SCHEMBL3758185

N#Cc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)s1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.62
LRRK2 Q5S007 1/20 0.49
IKBKB O14920 1/20 0.40
ADK P55263 3/20 0.38
PIK3CA P42336 3/20 0.37
PIK3CD O00329 2/20 0.37
MTOR P42345 2/20 0.37
PIK3CG P48736 2/20 0.37
PIK3R2 O00459 1/20 0.37
CTSK P43235 2/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PRKDC P78527 1/20 0.36
ADORA2A P29274 1/20 0.36
KDM1A O60341 1/20 0.35

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
SCHEMBL3768171 0.85 NOS1 (0.67) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3761856 0.84 NOS1 (0.65) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3759948 0.84 NOS1 (0.65) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3761325 0.82 NOS1 (0.63) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3761144 0.82 NOS1 (0.80) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3765096 0.81 NOS1 (0.62) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3758058 0.81 NOS1 (0.74) NOS1IKBKBADKPIK3CAMTOR
SCHEMBL3765371 0.79 NOS1 (0.75) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3761831 0.79 NOS1 (0.68) NOS1LRRK2IKBKBPIK3CAPIK3CD
SCHEMBL3761834 0.78 NOS1 (0.67) NOS1ADKPIK3CAPIK3CDMTOR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections GILEAD SCIENCES, INC. (US) 2018-12-04 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
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 2154/4885LRRK2 1434/4885IKBKB 1754/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885LRRK2 1434/4885IKBKB 1754/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885LRRK2 1434/4885IKBKB 1754/4885

“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.