SCHEMBL3765478

SCHEMBL3765478

Nc1nc(N2CCOCC2)c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cnc2n1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.67
ADK P55263 3/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIK3CA P42336 5/20 0.39
MTOR P42345 4/20 0.39
AKT1 P31749 2/20 0.39
GAK O14976 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCQ Q04759 1/20 0.39
PIK3CB P42338 1/20 0.39
AR P10275 1/20 0.38
HDAC1 Q13547 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
SCHEMBL3755637 0.90 NOS1 (0.72) NOS1ADKGAANPSR1PIK3CA
SCHEMBL3755502 0.89 NOS1 (0.74) NOS1ADKPIK3CAMTORAKT1
SCHEMBL3763559 0.85 NOS1 (0.71) NOS1ADKPIK3CAMTORGAK
SCHEMBL3752593 0.84 NOS1 (0.70) NOS1ADKPIK3CAMTORGAK
SCHEMBL3759306 0.83 NOS1 (0.71) NOS1ADKPIK3CAMTORGAK
SCHEMBL3763715 0.83 NOS1 (0.78) NOS1PIK3CAMTORPIK3CB
SCHEMBL3757090 0.83 NOS1 (0.59) NOS1PIK3CAMTORPIK3CB
SCHEMBL3766398 0.82 NOS1 (0.58) NOS1ADKPIK3CAMTORPIK3CB
SCHEMBL3755584 0.82 NOS1 (0.76) NOS1ADKGAAPIK3CAMTOR
SCHEMBL3765844 0.81 NOS1 (0.82) NOS1ADKGAANPSR1PIK3CA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2266/4885GAA 2285/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885GAA 2285/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885GAA 2285/4885

“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.