SCHEMBL3765812

SCHEMBL3765812

CCOc1nc(N)nc2ncc(-c3cccc(NC(=O)CCC(=O)O)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
GFER P55789 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
JAK2 O60674 2/20 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
JAK3 P52333 4/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
MITF O75030 1/20 0.42
HTT P42858 1/20 0.42
ATR Q13535 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ABL1 P00519 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
SCHEMBL3758126 0.89 JAK2 (0.47) ALDH1A1RAB9AMEN1KMT2AJAK2
SCHEMBL3757110 0.82 NPC1 (0.55) ALDH1A1RAB9ANPC1JAK2PIK3CA
SCHEMBL3760323 0.81 PIK3CG (0.47) ALDH1A1RAB9ANPC1JAK2PIK3CA
SCHEMBL3758232 0.80 PIK3CG (0.47) RAB9ANPC1PIK3CAPIK3CBPIK3CG
SCHEMBL3766368 0.80 PIK3CG (0.49) PIK3CAPIK3CBPIK3CGHDAC6ATR
SCHEMBL3755264 0.78 NOS1 (0.63) ALDH1A1RAB9ANPC1GFERMEN1
SCHEMBL3763077 0.78 NPC1 (0.49) ALDH1A1RAB9ANPC1PIK3CAPIK3CB
SCHEMBL5523485 0.78 NOS1 (0.55) ALDH1A1RAB9ANPC1PIK3CAPIK3CB
SCHEMBL3762280 0.77 PIK3CG (0.47) PIK3CAPIK3CBPIK3CGHDAC6ATR
SCHEMBL3759384 0.77 PIK3CG (0.50) PIK3CAPIK3CBPIK3CGHDAC6MAPT

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 ALDH1A1 1548/4885RAB9A 1998/4885NPC1 2360/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 ALDH1A1 1548/4885RAB9A 1998/4885NPC1 2360/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 ALDH1A1 1548/4885RAB9A 1998/4885NPC1 2360/4885

“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.