SCHEMBL3761910

SCHEMBL3761910

CC(=O)Nc1nc(N2CCOCC2)c2nc(-c3ccc(N)cc3)cnc2n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.56
PIK3CA P42336 3/20 0.48
PIK3CD O00329 2/20 0.48
PIK3CG P48736 1/20 0.48
ADK P55263 3/20 0.44
MTOR P42345 6/20 0.44
JAK2 O60674 2/20 0.44
ATR Q13535 1/20 0.43
PIK3R1 P27986 2/20 0.42
HDAC1 Q13547 1/20 0.41
JAK3 P52333 1/20 0.41
GAK O14976 1/20 0.41

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
Cyclopropane Carboxylic Acid SCHEMBL4725700 0.93 NOS1 (0.52) NOS1PIK3CAPIK3CDPIK3CGADK
SCHEMBL4725703 0.82 NOS1 (0.49) NOS1PIK3CAPIK3CDPIK3CGADK
SCHEMBL3766613 0.82 NOS1 (0.63) NOS1PIK3CAPIK3CDPIK3CGADK
SCHEMBL4450316 0.81 NOS1 (0.82) NOS1PIK3CAPIK3CDPIK3CGADK
SCHEMBL3752841 0.80 PIK3CA (0.49) NOS1PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL3770209 0.77 NOS1 (0.71) NOS1PIK3CAPIK3CGMTORATR
SCHEMBL3769685 0.77 NOS1 (0.73) NOS1PIK3CAPIK3CGADKMTOR
SCHEMBL3757270 0.77 NOS1 (0.67) NOS1PIK3CAPIK3CDPIK3CGADK
SCHEMBL3764319 0.76 NOS1 (0.64) NOS1PIK3CAPIK3CDPIK3CGADK
SCHEMBL4458075 0.76 NOS1 (0.64) NOS1PIK3CAPIK3CGADKMTOR

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 10 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-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
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-12-02 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
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 2351/4885PIK3CD 2324/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CA 2351/4885PIK3CD 2324/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CA 2351/4885PIK3CD 2324/4885

“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.