SCHEMBL3768149

SCHEMBL3768149

CCOc1nc(N)nc2ncc(-c3cccc([N+](=O)[O-])c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
MAPT P10636 6/20 0.42
LMNA P02545 1/20 0.41
AGPAT2 O15120 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE4D Q08499 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
IDO1 P14902 1/20 0.40
NOS1 P29475 2/20 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
SCHEMBL3759930 0.87 NOS1 (0.46) RAB9ANPC1PIK3CGMAPTLMNA
SCHEMBL3769855 0.85 MAPT (0.43) RAB9ANPC1PIK3CAPIK3CBPIK3CG
SCHEMBL3759384 0.82 PIK3CG (0.50) PIK3CAPIK3CBPIK3CGHDAC6MAPT
SCHEMBL3768128 0.82 PIK3CG (0.49) RAB9ANPC1PIK3CAPIK3CBPIK3CG
SCHEMBL3760491 0.81 PIK3CG (0.49) RAB9ANPC1PIK3CAPIK3CBPIK3CG
SCHEMBL3764208 0.81 PIK3CG (0.49) RAB9ANPC1BCHEACHEPIK3CA
SCHEMBL3766603 0.81 PTPN1 (0.47) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL3765638 0.81 PIK3CG (0.46) RAB9ANPC1PIK3CAPIK3CBPIK3CG
SCHEMBL3766368 0.81 PIK3CG (0.49) PIK3CAPIK3CBPIK3CGHDAC6NOS1
SCHEMBL3759871 0.81 NOS1 (0.51) RAB9ANPC1PIK3CGMAPTLMNA

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 RAB9A 1998/4885NPC1 2360/4885BCHE 2336/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 RAB9A 1998/4885NPC1 2360/4885BCHE 2336/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 RAB9A 1998/4885NPC1 2360/4885BCHE 2336/4885

“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.