SCHEMBL3758206

SCHEMBL3758206

Cc1cc(N)ccc1-c1cnc2nc(N)nc(N3CCOCC3)c2n1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.63
PIK3CA P42336 6/20 0.43
NUDT1 P36639 1/20 0.41
PRKDC P78527 1/20 0.41
ADK P55263 3/20 0.40
MTOR P42345 2/20 0.40
PIK3R1 P27986 1/20 0.40
BRAF P15056 1/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CG P48736 2/20 0.39
GAK O14976 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL3761838 0.93 NOS1 (0.64) NOS1PIK3CANUDT1PRKDCADK
SCHEMBL3759297 0.90 NOS1 (0.61) NOS1PIK3CAPRKDCADKMTOR
SCHEMBL3759363 0.87 NOS1 (0.72) NOS1PIK3CANUDT1ADKMTOR
SCHEMBL3765626 0.85 NOS1 (0.63) NOS1PIK3CANUDT1PRKDCADK
SCHEMBL3757175 0.83 NOS1 (0.63) NOS1PIK3CANUDT1PRKDCADK
SCHEMBL4450316 0.82 NOS1 (0.82) NOS1PIK3CAADKMTORPIK3R1
SCHEMBL3765592 0.81 NOS1 (0.64) NOS1PIK3CANUDT1PRKDCADK
SCHEMBL3758139 0.81 NOS1 (0.63) NOS1PIK3CAPRKDCADKMTOR
SCHEMBL4451911 0.81 NOS1 (0.79) NOS1PIK3CAPRKDCADKMTOR
SCHEMBL3757011 0.80 NOS1 (0.64) NOS1PIK3CAMTORPIK3CGGAK

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 2154/4885PIK3CA 2351/4885NUDT1 60/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CA 2351/4885NUDT1 60/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CA 2351/4885NUDT1 60/4885

“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.