SCHEMBL3759517

SCHEMBL3759517

COc1ccccc1-c1cnc2nc(N)nc(N3CCOCC3)c2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.68
LRRK2 Q5S007 2/20 0.49
STK4 Q13043 1/20 0.49
STK3 Q13188 1/20 0.49
CNR2 P34972 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
USP2 O75604 1/20 0.48
CYP2D6 P10635 1/20 0.48
GAK O14976 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 1/20 0.46
AGER Q15109 1/20 0.46

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
SCHEMBL3758120 0.90 NOS1 (0.66) NOS1LRRK2STK4STK3CNR2
SCHEMBL3763756 0.88 NOS1 (0.63) NOS1LRRK2CYP1A2CYP3A4MAPK1
SCHEMBL3757011 0.87 NOS1 (0.64) NOS1LRRK2STK4STK3GAK
SCHEMBL3767236 0.86 NOS1 (0.66) NOS1CNR2MAPK1TSHRALOX15
SCHEMBL3759363 0.86 NOS1 (0.72) NOS1STK4STK3CNR2CYP1A2
SCHEMBL3763593 0.86 NOS1 (0.66) NOS1LRRK2GAKTRPM8PIK3CA
SCHEMBL3760893 0.85 NOS1 (0.62) NOS1LRRK2STK4STK3CNR2
SCHEMBL3760913 0.85 NOS1 (0.73) NOS1MAPTPIK3CAMTOR
SCHEMBL3761859 0.84 NOS1 (0.72) NOS1LRRK2STK4STK3CNR2
SCHEMBL3759317 0.84 NOS1 (0.72) NOS1LRRK2CNR2MAPK1KDM4E

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-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
EP-1144412-B1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-09-29 EP 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 2154/4885LRRK2 1434/4885STK4 2123/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885LRRK2 1434/4885STK4 2123/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885LRRK2 1434/4885STK4 2123/4885

“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.