SCHEMBL3760595

SCHEMBL3760595

Nc1nc(N2CCOCC2)c2nc(-c3ccc(NC(=O)[C@@H](N)CO)cc3)cnc2n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.61
JAK2 O60674 3/20 0.56
JAK3 P52333 3/20 0.56
ATR Q13535 2/20 0.44
ADK P55263 3/20 0.41
MTOR P42345 6/20 0.41
PIK3R1 P27986 4/20 0.41
PIK3CA P42336 4/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41
MOK Q9UQ07 1/20 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
SCHEMBL3760610 1.00 NOS1 (0.61) NOS1JAK2JAK3ATRADK
SCHEMBL3765184 0.90 NOS1 (0.64) NOS1JAK2JAK3ATRADK
SCHEMBL3765436 0.89 NOS1 (0.63) NOS1JAK2JAK3ATRADK
SCHEMBL3765421 0.89 NOS1 (0.63) NOS1JAK2JAK3ATRADK
SCHEMBL4458075 0.85 NOS1 (0.64) NOS1ATRADKMTORPIK3R1
SCHEMBL4774978 0.84 NOS1 (0.61) NOS1JAK2JAK3ATRADK
SCHEMBL3770209 0.84 NOS1 (0.71) NOS1ATRMTORPIK3CAPIK3CG
SCHEMBL3755252 0.83 NOS1 (0.54) NOS1JAK2JAK3ATRMTOR
SCHEMBL3755254 0.83 NOS1 (0.54) NOS1JAK2JAK3ATRMTOR
SCHEMBL3752640 0.83 NOS1 (0.64) NOS1JAK2JAK3ATRADK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections GILEAD SCIENCES, INC. (US) 2018-12-04 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

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 2154/4885JAK2 3100/4885JAK3 2753/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885JAK2 3100/4885JAK3 2753/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885JAK2 3100/4885JAK3 2753/4885

“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.