SCHEMBL3760293

SCHEMBL3760293

Nc1nc(N2CCOCC2)c2nc(-c3cc4ccccc4o3)cnc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.68
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
PRKDC P78527 2/20 0.44
ATM Q13315 1/20 0.44
ADK P55263 3/20 0.44
GRM4 Q14833 1/20 0.44
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
EIF4E P06730 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL5317835 0.81 NOS1 (1.00) NOS1ALDH1A1ADKPIK3CDPIK3CA
SCHEMBL3760415 0.81 NOS1 (0.78) NOS1ADKPIK3CDPIK3CAMTOR
SCHEMBL3770036 0.81 NOS1 (0.70) NOS1KDM4EALDH1A1ADKKMT2A
Water SCHEMBL6491267 0.80 NOS1 (0.98) NOS1ALDH1A1ADKPIK3CDPIK3CA
SCHEMBL3759341 0.80 NOS1 (0.65) NOS1PRKDCADKPIK3CDPIK3CA
SCHEMBL3762228 0.79 NOS1 (0.95) NOS1ALDH1A1ADKPIK3CDPIK3CA
SCHEMBL3761263 0.79 NOS1 (0.74) NOS1ADKPIK3CDPIK3CAMTOR
SCHEMBL3767250 0.79 NOS1 (0.71) NOS1PRKDCPIK3CDPIK3CAMTOR
SCHEMBL3761834 0.78 NOS1 (0.67) NOS1NPC1RAB9ASMN1; SMN2PRKDC
SCHEMBL3760913 0.78 NOS1 (0.73) NOS1MAPTADKPIK3CDPIK3CA

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-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
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 2154/4885NPC1 2360/4885RAB9A 1998/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885NPC1 2360/4885RAB9A 1998/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885NPC1 2360/4885RAB9A 1998/4885

“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.