SCHEMBL3766643

SCHEMBL3766643

Nc1nc(N2CCOCC2)c2nc(-c3ccc4c(c3)OCCO4)cnc2n1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.69
PIK3CG P48736 5/20 0.51
PIK3CA P42336 4/20 0.51
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
MTOR P42345 3/20 0.45
GAK O14976 1/20 0.45
ADK P55263 5/20 0.45
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
PIK3CD O00329 2/20 0.39

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
SCHEMBL3765379 0.96 NOS1 (0.67) NOS1PIK3CGPIK3CAMAPTLMNA
SCHEMBL3766407 0.89 NOS1 (0.66) NOS1PIK3CGPIK3CAMAPTMTOR
SCHEMBL4450316 0.84 NOS1 (0.82) NOS1PIK3CGPIK3CAMTORGAK
SCHEMBL3765844 0.84 NOS1 (0.82) NOS1PIK3CGPIK3CAMAPTMTOR
SCHEMBL3760415 0.84 NOS1 (0.78) NOS1PIK3CGPIK3CAMTORGAK
SCHEMBL3761966 0.84 NOS1 (0.71) NOS1PIK3CGPIK3CAMTORGAK
SCHEMBL4451911 0.83 NOS1 (0.79) NOS1PIK3CGPIK3CAMTORGAK
SCHEMBL3765371 0.82 NOS1 (0.75) NOS1PIK3CGPIK3CAMTORGAK
SCHEMBL4450556 0.82 NOS1 (0.79) NOS1PIK3CGPIK3CAMTORGAK
SCHEMBL3762228 0.82 NOS1 (0.95) NOS1PIK3CGPIK3CAMTORGAK

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 2154/4885PIK3CG 2660/4885PIK3CA 2351/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CG 2660/4885PIK3CA 2351/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CG 2660/4885PIK3CA 2351/4885

“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.