SCHEMBL3757231

SCHEMBL3757231

CCOc1nc(N)nc2ncc(-c3ccc4ccccc4c3)nc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 12/20 0.53
CYP1A2 P05177 1/20 0.46
PIK3CG P48736 3/20 0.45
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
CDC25C P30307 1/20 0.44
DUSP3 P51452 1/20 0.44
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL3763817 0.87 NOS1 (0.49) NOS1CYP1A2PIK3CGPIK3CAPIK3CB
SCHEMBL3760884 0.86 NOS1 (0.53) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL5523485 0.86 NOS1 (0.55) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3760177 0.86 NPC1 (0.41) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3759384 0.86 PIK3CG (0.50) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL4456209 0.85 NOS1 (0.57) NOS1PIK3CGNPC1KDM4EMAPT
SCHEMBL3766677 0.85 NOS1 (0.53) NOS1PIK3CGNPC1KDM4EMAPT
SCHEMBL3755318 0.84 NOS1 (0.51) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3755599 0.84 NOS1 (0.52) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL4450439 0.83 NOS1 (0.46) NOS1PIK3CGPIK3CAPIK3CBHDAC6

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 2154/4885CYP1A2 686/4885PIK3CG 2660/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885CYP1A2 686/4885PIK3CG 2660/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885CYP1A2 686/4885PIK3CG 2660/4885

“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.