SCHEMBL3765853

SCHEMBL3765853

CCOc1ncccc1-c1cnc2nc(N)nc(N3CCOCC3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.60
ATR Q13535 1/20 0.45
ATRIP Q8WXE1 1/20 0.45
PIK3CD O00329 4/20 0.45
PIK3CA P42336 4/20 0.45
MTOR P42345 3/20 0.45
PIK3CG P48736 3/20 0.45
PDE1B Q01064 8/20 0.42
PDE1A P54750 6/20 0.41
PDE1C Q14123 5/20 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
SCHEMBL3763593 0.90 NOS1 (0.66) NOS1ATRATRIPPIK3CDPIK3CA
SCHEMBL3758120 0.86 NOS1 (0.66) NOS1PIK3CDPIK3CAMTORPIK3CG
SCHEMBL3767286 0.83 NOS1 (0.66) NOS1ATRATRIPPIK3CDPIK3CA
SCHEMBL3760492 0.83 NOS1 (0.66) NOS1ATRATRIPPIK3CDPIK3CA
SCHEMBL3758132 0.81 PDE1B (0.47) NOS1PDE1BPDE1APDE1C
SCHEMBL3759363 0.81 NOS1 (0.72) NOS1PIK3CDPIK3CAMTORPIK3CG
SCHEMBL3759517 0.80 NOS1 (0.68) NOS1PIK3CAMTOR
SCHEMBL4462330 0.80 NOS1 (0.81) NOS1
SCHEMBL3760480 0.80 NOS1 (0.59) NOS1
SCHEMBL3760913 0.79 NOS1 (0.73) NOS1PIK3CDPIK3CAMTORPIK3CG

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 2767/4885ATRIP 2122/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ATR 2767/4885ATRIP 2122/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ATR 2767/4885ATRIP 2122/4885

“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.