SCHEMBL3755345

SCHEMBL3755345

Nc1nc(N2CCOCC2)c2nc(-c3cccc(Cl)c3)cnc2n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.76
STK4 Q13043 2/20 0.50
STK3 Q13188 2/20 0.50
ADK P55263 2/20 0.50
LRRK2 Q5S007 2/20 0.50
CNR2 P34972 1/20 0.48
PIK3CA P42336 2/20 0.46
PIK3CG P48736 2/20 0.46
PIK3CB P42338 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PDE10A Q9Y233 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4451911 0.89 NOS1 (0.79) NOS1ADKPIK3CAPIK3CGPIK3CB
SCHEMBL3759306 0.89 NOS1 (0.71) NOS1ADKLRRK2PIK3CAPIK3CG
SCHEMBL3760682 0.87 NOS1 (0.76) NOS1STK4STK3ADKLRRK2
SCHEMBL5508882 0.87 NOS1 (0.79) NOS1ADKPIK3CAPIK3CGPDE10A
SCHEMBL5317835 0.87 NOS1 (1.00) NOS1ADKPIK3CAPIK3CGALDH1A1
SCHEMBL3761966 0.86 NOS1 (0.71) NOS1ADKCNR2PIK3CAPIK3CG
Water SCHEMBL6491267 0.85 NOS1 (0.98) NOS1ADKPIK3CAPIK3CGALDH1A1
SCHEMBL3756792 0.85 NOS1 (0.67) NOS1ADKLRRK2CNR2PIK3CA
SCHEMBL3764357 0.85 NOS1 (0.69) NOS1ADKLRRK2PIK3CAPIK3CG
Hydrochloric Acid SCHEMBL6494704 0.85 NOS1 (0.76) NOS1ADKPIK3CAPIK3CGPDE10A

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-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 2154/4885STK4 2123/4885STK3 2646/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885STK4 2123/4885STK3 2646/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885STK4 2123/4885STK3 2646/4885

“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.