SCHEMBL3758205

SCHEMBL3758205

CCOc1nc(N)nc2ncc(-c3ccc4c(c3)OCCCO4)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.42
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PIK3CG P48736 3/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38

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
SCHEMBL3768051 0.96 NOS1 (0.43) NOS1ALDH1A1NPC1RAB9APIK3CG
SCHEMBL3765544 0.87 DYRK1A (0.51) NOS1NPC1RAB9APIK3CGMAPT
SCHEMBL3755599 0.78 NOS1 (0.52) NOS1NPC1PIK3CGMAPTPIK3CA
SCHEMBL3757231 0.78 NOS1 (0.53) NOS1ALDH1A1NPC1RAB9APIK3CG
SCHEMBL3757239 0.78 NOS1 (0.46) NOS1ALDH1A1PIK3CGGAAPIK3CA
SCHEMBL4450439 0.78 NOS1 (0.46) NOS1NPC1RAB9APIK3CGPIK3CA
SCHEMBL3755577 0.77 NOS1 (0.61) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL4456209 0.77 NOS1 (0.57) NOS1NPC1PIK3CGMAPTLMNA
SCHEMBL4454283 0.77 NOS1 (0.67) NOS1ALDH1A1PIK3CGMAPTPIK3CA
SCHEMBL3765379 0.76 NOS1 (0.67) NOS1ALDH1A1NPC1RAB9APIK3CG

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 2154/4885ALDH1A1 1548/4885NPC1 2360/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ALDH1A1 1548/4885NPC1 2360/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ALDH1A1 1548/4885NPC1 2360/4885

“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.