SCHEMBL3765083

SCHEMBL3765083

COc1cc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.72
GAK O14976 5/20 0.58
FYN P06241 1/20 0.52
JAK2 O60674 1/20 0.49
JAK3 P52333 1/20 0.49
PIK3CG P48736 1/20 0.47
NEK2 P51955 1/20 0.42
MTOR P42345 3/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4460917 0.91 NOS1 (0.81) NOS1GAKPIK3CGNEK2ALDH1A1
Water SCHEMBL6481921 0.90 NOS1 (0.80) NOS1GAKPIK3CGNEK2ALDH1A1
SCHEMBL3760764 0.90 NOS1 (0.74) NOS1GAKJAK2
SCHEMBL5481513 0.88 NOS1 (0.65) NOS1GAKFYNJAK2JAK3
SCHEMBL3765376 0.86 NOS1 (0.66) NOS1GAKJAK2JAK3NEK2
SCHEMBL3756777 0.86 NOS1 (0.71) NOS1GAKJAK2JAK3NEK2
SCHEMBL3763471 0.86 NOS1 (0.65) NOS1GAKFYNMTOR
SCHEMBL3921136 0.84 PDE4A (0.54) NOS1GAKFYNJAK2JAK3
SCHEMBL3764341 0.84 NOS1 (0.68) NOS1GAKNEK2MTOR
SCHEMBL3755734 0.84 NOS1 (1.00) NOS1GAKNEK2ALDH1A1

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 2154/4885GAK 2047/4885FYN 4208/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885GAK 2047/4885FYN 4208/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885GAK 2047/4885FYN 4208/4885

“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.