SCHEMBL3752881

SCHEMBL3752881

CC(C)(C)OC(=O)c1ccccc1-c1cnc2nc(N)nc(N3CCOCC3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.59
ALOX5AP P20292 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PIK3CA P42336 7/20 0.36
MTOR P42345 4/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CG P48736 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
MGMT P16455 1/20 0.35
AKT1 P31749 1/20 0.35
PIK3R1 P27986 2/20 0.35
PRKDC P78527 1/20 0.35
FEN1 P39748 1/20 0.35
ATR Q13535 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL3767187 0.90 NOS1 (0.62) NOS1ALOX5APCYP1A2CYP2D6CYP2C9
SCHEMBL3760480 0.88 NOS1 (0.59) NOS1TDP1TP53POLB
SCHEMBL3769699 0.84 NOS1 (0.67) NOS1PIK3CAMTORPIK3CDPIK3CG
SCHEMBL3752786 0.83 NOS1 (0.63) NOS1PIK3CAMTORPIK3CDPIK3CG
SCHEMBL3760913 0.81 NOS1 (0.73) NOS1PIK3CAMTORPIK3CDPIK3CG
SCHEMBL3759363 0.80 NOS1 (0.72) NOS1CYP1A2CYP2C9CYP2C19PIK3CA
SCHEMBL3760507 0.80 NOS1 (0.56) NOS1PIK3CAMTORPIK3CDPIK3CG
SCHEMBL3759517 0.79 NOS1 (0.68) NOS1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL3760387 0.78 NOS1 (0.67) NOS1ALOX5APPIK3CAMTORPIK3CD
SCHEMBL3761859 0.78 NOS1 (0.72) NOS1ALOX5APCYP1A2PIK3CAMTOR

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 2154/4885ALOX5AP 2953/4885CYP1A2 686/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ALOX5AP 2953/4885CYP1A2 686/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ALOX5AP 2953/4885CYP1A2 686/4885

“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.