SCHEMBL3763992

SCHEMBL3763992

Nc1nc(N2CCOCC2)c2nc(-c3ccc(NCCN4CCOCC4)nc3)cnc2n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.61
ATR Q13535 1/20 0.54
FYN P06241 3/20 0.47
KDR P35968 1/20 0.45
SYK P43405 2/20 0.44
PIK3CA P42336 1/20 0.43
ADK P55263 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TLR9 Q9NR96 1/20 0.41
PDE5A O76074 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
SCHEMBL3767202 0.85 ATR (0.52) NOS1ATRFYNKDRSYK
SCHEMBL3766613 0.81 NOS1 (0.63) NOS1ATRPIK3CAADK
SCHEMBL3765371 0.81 NOS1 (0.75) NOS1PIK3CAADK
SCHEMBL3761946 0.80 NOS1 (0.73) NOS1PIK3CAADK
SCHEMBL3761331 0.79 NOS1 (0.72) NOS1PIK3CAADK
SCHEMBL3763269 0.79 NOS1 (0.72) NOS1ATRPIK3CAADK
SCHEMBL3757061 0.79 NOS1 (0.72) NOS1PIK3CAADK
SCHEMBL3765366 0.79 NOS1 (0.72) NOS1ATRPIK3CAADK
SCHEMBL3765844 0.79 NOS1 (0.82) NOS1ATRKDRSYKPIK3CA
SCHEMBL4450316 0.79 NOS1 (0.82) NOS1PIK3CAADK

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 6 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
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 2154/4885ATR 2767/4885FYN 4208/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ATR 2767/4885FYN 4208/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ATR 2767/4885FYN 4208/4885

“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.