SCHEMBL3756705

SCHEMBL3756705

Nc1nc(N2CCOCC2)c2nc(-c3cccc([N+](=O)[O-])c3)cnc2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.69
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
MGMT P16455 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SRC P12931 1/20 0.42
DPP4 P27487 1/20 0.41
MGLL Q99685 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 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
SCHEMBL3761252 0.88 NOS1 (0.71) NOS1MEN1KMT2AALDH1A1RAB9A
SCHEMBL3755358 0.86 NOS1 (0.63) NOS1MEN1KMT2AALDH1A1MGMT
SCHEMBL4451911 0.85 NOS1 (0.79) NOS1PIK3CAPIK3CBPIK3CGHDAC6
SCHEMBL3764224 0.83 NOS1 (0.61) NOS1KMT2AALDH1A1MGMTSMN1; SMN2
SCHEMBL3760682 0.83 NOS1 (0.76) NOS1ALDH1A1MAPK1PIK3CAPIK3CB
SCHEMBL3755345 0.83 NOS1 (0.76) NOS1ALDH1A1PIK3CAPIK3CBPIK3CG
SCHEMBL3766688 0.82 NOS1 (0.72) NOS1PIK3CAPIK3CBPIK3CGHDAC6
SCHEMBL3755627 0.82 NOS1 (0.72) NOS1PIK3CAPIK3CBPIK3CGHDAC6
SCHEMBL3764483 0.82 NOS1 (0.66) NOS1ALDH1A1MGMTPIK3CAPIK3CG
SCHEMBL5317835 0.82 NOS1 (1.00) NOS1ALDH1A1MAPK1PIK3CAPIK3CG

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 2154/4885MEN1 4389/4885KMT2A 2086/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885MEN1 4389/4885KMT2A 2086/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885MEN1 4389/4885KMT2A 2086/4885

“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.