SCHEMBL3755264

SCHEMBL3755264

Nc1nc(N2CCOCC2)c2nc(-c3cccc(NC(=O)CCC(=O)O)c3)cnc2n1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.63
JAK3 P52333 3/20 0.49
ATR Q13535 3/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
JAK2 O60674 2/20 0.44
ALDH1A1 P00352 1/20 0.44
JAK1 P23458 1/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BRAF P15056 1/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CG P48736 1/20 0.42
HDAC1 Q13547 1/20 0.42
POLB P06746 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL3752640 0.90 NOS1 (0.64) NOS1JAK3ATRNPC1RAB9A
SCHEMBL4449949 0.88 NOS1 (0.62) NOS1JAK3ATRNPC1RAB9A
SCHEMBL4452271 0.86 NOS1 (0.68) NOS1JAK3ATRNPC1RAB9A
SCHEMBL4454828 0.86 NOS1 (0.60) NOS1JAK3ATRNPC1RAB9A
SCHEMBL4451094 0.83 NOS1 (0.60) NOS1ATRNPC1RAB9APIK3CA
SCHEMBL4448747 0.83 NOS1 (0.59) NOS1JAK3ATRNPC1RAB9A
SCHEMBL3755477 0.82 NOS1 (0.68) NOS1JAK3ATRBRAFPIK3CA
SCHEMBL3765571 0.81 NOS1 (0.67) NOS1ATRNPC1RAB9AJAK2
SCHEMBL4448697 0.80 NOS1 (0.63) NOS1JAK3ATRNPC1RAB9A
SCHEMBL3766688 0.80 NOS1 (0.72) NOS1ATRPIK3CAPIK3CDPIK3CG

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 2154/4885JAK3 2753/4885ATR 2767/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885JAK3 2753/4885ATR 2767/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885JAK3 2753/4885ATR 2767/4885

“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.