SCHEMBL3765544

SCHEMBL3765544

CCOc1nc(N)nc2ncc(-c3ccc4c(c3)CCO4)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.51
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
NOS1 P29475 8/20 0.43
NPC1 O15118 2/20 0.42
CLK1 P49759 1/20 0.42
PIK3CG P48736 4/20 0.40
MET P08581 1/20 0.40
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
MTOR P42345 1/20 0.37
EPHB4 P54760 1/20 0.37
PRKDC P78527 1/20 0.37

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 0.89 NOS1 (0.43) RAB9ASMN1; SMN2MAPTNOS1NPC1
SCHEMBL3758205 0.87 NOS1 (0.42) RAB9ASMN1; SMN2MAPTNOS1NPC1
SCHEMBL3766494 0.80 NOS1 (0.43) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL4454283 0.78 NOS1 (0.67) MAPTNOS1PIK3CGPIK3CA
SCHEMBL3755599 0.78 NOS1 (0.52) MAPTNOS1NPC1PIK3CGPIK3CA
SCHEMBL4450439 0.77 NOS1 (0.46) RAB9ANOS1NPC1PIK3CGPIK3CA
SCHEMBL3757239 0.77 NOS1 (0.46) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3757231 0.77 NOS1 (0.53) RAB9AMAPTNOS1NPC1PIK3CG
SCHEMBL3766407 0.77 NOS1 (0.66) DYRK1ARAB9ASMN1; SMN2MAPTNOS1
SCHEMBL4456209 0.77 NOS1 (0.57) SMN1; SMN2MAPTNOS1NPC1PIK3CG

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 DYRK1A 4226/4885RAB9A 1998/4885SMN1; SMN2 3838/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 DYRK1A 4226/4885RAB9A 1998/4885SMN1; SMN2 3838/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 DYRK1A 4226/4885RAB9A 1998/4885SMN1; SMN2 3838/4885

“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.