SCHEMBL3755254

SCHEMBL3755254

CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.54
MTOR P42345 5/20 0.43
JAK2 O60674 4/20 0.40
JAK3 P52333 3/20 0.40
SCN9A Q15858 1/20 0.40
PRKDC P78527 1/20 0.40
ATR Q13535 1/20 0.38
LCK P06239 1/20 0.38
KDR P35968 1/20 0.38
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL3755252 1.00 NOS1 (0.54) NOS1MTORJAK2JAK3SCN9A
SCHEMBL3762310 0.90 NOS1 (0.56) NOS1MTORJAK2JAK3PRKDC
SCHEMBL3762311 0.90 NOS1 (0.56) NOS1MTORJAK2JAK3PRKDC
SCHEMBL3760610 0.83 NOS1 (0.61) NOS1MTORJAK2JAK3ATR
SCHEMBL3760595 0.83 NOS1 (0.61) NOS1MTORJAK2JAK3ATR
SCHEMBL3765184 0.82 NOS1 (0.64) NOS1MTORJAK2JAK3ATR
SCHEMBL4841936 0.82 NOS1 (0.37) NOS1MTORJAK2SCN9A
SCHEMBL3765421 0.82 NOS1 (0.63) NOS1MTORJAK2JAK3ATR
SCHEMBL3765436 0.82 NOS1 (0.63) NOS1MTORJAK2JAK3ATR
SCHEMBL3770209 0.82 NOS1 (0.71) NOS1MTORATR

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 2154/4885MTOR 3424/4885JAK2 3100/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885MTOR 3424/4885JAK2 3100/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885MTOR 3424/4885JAK2 3100/4885

“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.