SCHEMBL3763390

SCHEMBL3763390

Nc1nc(N2CCOCC2)c2nc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cnc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.55
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ADK P55263 2/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
PRCP P42785 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
CNR2 P34972 1/20 0.43
PIK3CA P42336 2/20 0.42
MTOR P42345 1/20 0.42
AKT1 P31749 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
MMP14 P50281 1/20 0.41

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
SCHEMBL5508882 0.83 NOS1 (0.79) NOS1KDM4EADKALDH1A1SMN1; SMN2
SCHEMBL3760382 0.82 NOS1 (0.66) NOS1ADKMTOR
SCHEMBL3766607 0.82 L3MBTL1 (0.44) KDM4ELMNAHSD17B10ADKALDH1A1
Hydrochloric Acid SCHEMBL6494704 0.81 NOS1 (0.76) NOS1KDM4EADKALDH1A1SMN1; SMN2
SCHEMBL3756802 0.80 NOS1 (0.66) NOS1ADK
SCHEMBL3760392 0.79 NOS1 (0.72) NOS1ADKPIK3CAMTOR
SCHEMBL3763269 0.79 NOS1 (0.72) NOS1ADKPIK3CAMTORMAPT
SCHEMBL3760218 0.78 NOS1 (0.71) NOS1ADKPIK3CAMTOR
SCHEMBL4882526 0.77 NOS1 (0.58) NOS1ADKMTOR
SCHEMBL3765371 0.77 NOS1 (0.75) NOS1ADKPIK3CAMTORAKT1

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 2154/4885KDM4E 763/4885LMNA 2340/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885KDM4E 763/4885LMNA 2340/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885KDM4E 763/4885LMNA 2340/4885

“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.