SCHEMBL3755700

SCHEMBL3755700

CCOc1nc(N)nc2ncc(-c3ccccn3)nc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 11/20 0.46
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CBFB Q13951 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
MPO P05164 2/20 0.37
TPO P07202 1/20 0.37
CYP3A4 P08684 1/20 0.37
EPX P11678 1/20 0.37
MGMT P16455 1/20 0.37
PIK3CG P48736 2/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL5523485 0.84 NOS1 (0.55) NOS1KDM4ENPC1ALDH1A1MAPK1
SCHEMBL3758132 0.84 PDE1B (0.47) NOS1
SCHEMBL3768010 0.82 NOS1 (0.44) NOS1MPOPIK3CGPIK3CAPIK3CB
SCHEMBL3760884 0.82 NOS1 (0.53) NOS1KDM4ENPC1ALDH1A1MAPK1
SCHEMBL3769720 0.81 NOS1 (0.40) NOS1MPOPIK3CGPIK3CAPIK3CB
SCHEMBL3762339 0.81 NOS1 (0.44) NOS1KDM4EALDH1A1
SCHEMBL3769692 0.81 NOS1 (0.44) NOS1NPC1ALDH1A1MAPK1RAB9A
SCHEMBL3760343 0.81 HSP90AA1 (0.46) NOS1HSD17B10NPC1MAPK1RAB9A
SCHEMBL3759373 0.81 NOS1 (0.40) NOS1MPOPIK3CGPIK3CAPIK3CB
SCHEMBL3760311 0.81 ATR (0.40) NOS1KDM4EPIK3CGPIK3CAPIK3CB

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-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
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 2154/4885KDM4E 763/4885ALOX15 3501/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885KDM4E 763/4885ALOX15 3501/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885KDM4E 763/4885ALOX15 3501/4885

“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.