SCHEMBL3761966

SCHEMBL3761966

Nc1nc(N2CCOCC2)c2nc(-c3ccc(Cl)c(Cl)c3)cnc2n1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.71
ADK P55263 3/20 0.51
AR P10275 1/20 0.48
CNR2 P34972 1/20 0.48
GAK O14976 1/20 0.46
PIK3CA P42336 3/20 0.42
PIK3CG P48736 4/20 0.42
HRH4 Q9H3N8 1/20 0.41
PIK3CD O00329 1/20 0.40
MTOR P42345 1/20 0.40
KMO O15229 1/20 0.40
PRKDC P78527 1/20 0.39
PIK3CB P42338 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3757261 0.91 NOS1 (0.67) NOS1ADKARCNR2GAK
SCHEMBL3756792 0.91 NOS1 (0.67) NOS1ADKARCNR2GAK
SCHEMBL5508882 0.88 NOS1 (0.79) NOS1ADKGAKPIK3CAPIK3CG
SCHEMBL3755345 0.86 NOS1 (0.76) NOS1ADKCNR2GAKPIK3CA
SCHEMBL3764357 0.86 NOS1 (0.69) NOS1ADKGAKPIK3CAPIK3CG
SCHEMBL3763269 0.86 NOS1 (0.72) NOS1ADKGAKPIK3CAPIK3CG
Hydrochloric Acid SCHEMBL6494704 0.86 NOS1 (0.76) NOS1ADKGAKPIK3CAPIK3CG
SCHEMBL3759306 0.85 NOS1 (0.71) NOS1ADKGAKPIK3CAPIK3CG
SCHEMBL3765844 0.85 NOS1 (0.82) NOS1ADKGAKPIK3CAPIK3CG
SCHEMBL4450316 0.85 NOS1 (0.82) NOS1ADKGAKPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2266/4885AR 4817/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885AR 4817/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885AR 4817/4885

“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.