SCHEMBL3769699

SCHEMBL3769699

CC(C)(C)OC(=O)c1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.67
ADK P55263 3/20 0.42
GAK O14976 1/20 0.41
ATR Q13535 3/20 0.40
PIK3CA P42336 5/20 0.40
MTOR P42345 3/20 0.40
PIK3CG P48736 2/20 0.40
AURKB Q96GD4 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CD O00329 1/20 0.39
KCNH2 Q12809 1/20 0.38
PIK3R1 P27986 2/20 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
SCHEMBL3752786 0.90 NOS1 (0.63) NOS1GAKATRPIK3CAMTOR
SCHEMBL3769685 0.90 NOS1 (0.73) NOS1ADKGAKATRPIK3CA
SCHEMBL3765210 0.87 NOS1 (0.67) NOS1ADKPIK3CAMTORKMT2A
SCHEMBL3765293 0.85 NOS1 (0.72) NOS1ADKGAKPIK3CAMTOR
SCHEMBL3757270 0.84 NOS1 (0.67) NOS1ADKATRPIK3CAMTOR
SCHEMBL3752881 0.84 NOS1 (0.59) NOS1ATRPIK3CAMTORPIK3CG
SCHEMBL3758075 0.84 NOS1 (0.70) NOS1ADKATRMTORKCNH2
SCHEMBL3757054 0.83 NOS1 (0.78) NOS1ADKATRPIK3CAMTOR
SCHEMBL3758149 0.82 NOS1 (0.74) NOS1ADKGAKPIK3CAMTOR
SCHEMBL3769863 0.82 NOS1 (0.77) NOS1ADKATRPIK3CAMTOR

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 2266/4885GAK 2047/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885GAK 2047/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ADK 2266/4885GAK 2047/4885

“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.