SCHEMBL3765844

SCHEMBL3765844

Nc1nc(N2CCOCC2)c2nc(-c3ccc(N4CCOCC4)cc3)cnc2n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.82
ADK P55263 3/20 0.62
PRKDC P78527 1/20 0.48
PIK3CG P48736 2/20 0.46
ATR Q13535 1/20 0.46
GAK O14976 1/20 0.45
XDH P47989 1/20 0.44
ABL1 P00519 2/20 0.44
NTRK1 P04629 2/20 0.44
YES1 P07947 2/20 0.44
PIM1 P11309 2/20 0.44
MAPK1 P28482 2/20 0.44
KDR P35968 2/20 0.44
HIPK1 Q86Z02 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3761382 0.93 NOS1 (0.72) NOS1ADKPRKDCPIK3CGATR
SCHEMBL4450316 0.93 NOS1 (0.82) NOS1ADKPIK3CGGAKPIK3CD
SCHEMBL3764018 0.91 NOS1 (0.69) NOS1ADKPRKDCATRGAK
SCHEMBL4450556 0.91 NOS1 (0.79) NOS1ADKPIK3CGGAKPIK3CD
SCHEMBL5508882 0.91 NOS1 (0.79) NOS1ADKPIK3CGGAKMAPK1
SCHEMBL3762228 0.91 NOS1 (0.95) NOS1ADKPIK3CGATRGAK
SCHEMBL5317835 0.90 NOS1 (1.00) NOS1ADKPIK3CGABL1NTRK1
SCHEMBL3765481 0.89 NOS1 (0.80) NOS1ADKPIK3CGGAKPIK3CD
Water SCHEMBL6491267 0.89 NOS1 (0.98) NOS1ADKPIK3CGABL1NTRK1
Hydrochloric Acid SCHEMBL6494704 0.89 NOS1 (0.76) NOS1ADKPIK3CGGAKMAPK1

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 2154/4885ADK 2266/4885PRKDC 3362/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885PRKDC 3362/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885PRKDC 3362/4885

“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.