SCHEMBL3757165

SCHEMBL3757165

Nc1nc(N2CCOCC2)c2nc(-c3ccnc(Br)c3Cl)cnc2n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.61
ADK P55263 3/20 0.41
PIK3CA P42336 6/20 0.40
PIK3CD O00329 3/20 0.40
MTOR P42345 3/20 0.40
PIK3CG P48736 2/20 0.40
PIK3R1 P27986 1/20 0.38
PIK3CB P42338 1/20 0.38
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
CNR2 P34972 2/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRKDC P78527 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3764134 0.84 NOS1 (0.61) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3756924 0.83 NOS1 (0.66) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL4778953 0.83 NOS1 (0.63) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3759317 0.81 NOS1 (0.72) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3766397 0.80 NOS1 (0.61) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3761181 0.80 NOS1 (0.64) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3764357 0.79 NOS1 (0.69) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3763957 0.79 NOS1 (0.63) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL5508882 0.78 NOS1 (0.79) NOS1ADKPIK3CAPIK3CDMTOR
SCHEMBL3764131 0.78 NOS1 (0.61) NOS1ADKPIK3CAPIK3CDMTOR

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 2266/4885PIK3CA 2351/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885PIK3CA 2351/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885PIK3CA 2351/4885

“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.