SCHEMBL3759871

SCHEMBL3759871

CCOc1nc(N)nc2ncc(-c3ccc(OC)c([N+](=O)[O-])c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.51
MAPT P10636 8/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
RECQL P46063 1/20 0.45
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
XDH P47989 1/20 0.40
PIK3CG P48736 1/20 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
SCHEMBL3769855 0.89 MAPT (0.43) NOS1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3768128 0.87 PIK3CG (0.49) NOS1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4454283 0.85 NOS1 (0.67) NOS1MAPTALDH1A1MAPK1PIK3CG
SCHEMBL3756936 0.83 NOS1 (0.55) NOS1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3762199 0.82 NOS1 (0.57) NOS1MAPTALDH1A1MEN1KMT2A
SCHEMBL3759930 0.82 NOS1 (0.46) NOS1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL3758229 0.82 NOS1 (0.52) NOS1PIK3CG
SCHEMBL3768149 0.81 RAB9A (0.49) NOS1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3766480 0.81 NOS1 (0.55) NOS1ALDH1A1RECQLMAPK1PIK3CG
SCHEMBL3766603 0.81 PTPN1 (0.47) NOS1MAPTALDH1A1SMN1; SMN2LMNA

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 2154/4885MAPT 4683/4885ALDH1A1 1548/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885MAPT 4683/4885ALDH1A1 1548/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885MAPT 4683/4885ALDH1A1 1548/4885

“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.