SCHEMBL3755300

SCHEMBL3755300

Nc1nc(N2CCOCC2)c2nc(-c3ccc4[nH]ccc4c3)cnc2n1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.67
MAP3K11 Q16584 1/20 0.48
JAK2 O60674 1/20 0.47
MTOR P42345 7/20 0.46
PIK3CA P42336 6/20 0.46
GRIA1 P42261 1/20 0.45
PIK3CG P48736 1/20 0.45
PRKDC P78527 1/20 0.44
GAK O14976 1/20 0.44
ADK P55263 3/20 0.43
CYP2C9 P11712 1/20 0.43
ATR Q13535 1/20 0.43
AKT1 P31749 1/20 0.43

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
SCHEMBL4779112 0.85 NOS1 (0.52) NOS1MAP3K11JAK2MTORPIK3CA
SCHEMBL3760415 0.84 NOS1 (0.78) NOS1MTORPIK3CAPIK3CGGAK
SCHEMBL4101346 0.83 JAK2 (0.48) NOS1MAP3K11JAK2MTORPIK3CA
SCHEMBL3765844 0.82 NOS1 (0.82) NOS1MTORPIK3CAPIK3CGPRKDC
SCHEMBL4450316 0.82 NOS1 (0.82) NOS1MTORPIK3CAPIK3CGGAK
SCHEMBL3761966 0.82 NOS1 (0.71) NOS1MTORPIK3CAPIK3CGPRKDC
SCHEMBL3766643 0.81 NOS1 (0.69) NOS1MTORPIK3CAPIK3CGGAK
SCHEMBL4451911 0.81 NOS1 (0.79) NOS1JAK2MTORPIK3CAPIK3CG
SCHEMBL3764496 0.81 NOS1 (0.66) NOS1JAK2PIK3CAPIK3CGGAK
SCHEMBL3765371 0.81 NOS1 (0.75) NOS1MTORPIK3CAPIK3CGGAK

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-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections GILEAD SCIENCES, INC. (US) 2018-12-04 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
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 2154/4885MAP3K11 3950/4885JAK2 3100/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885MAP3K11 3950/4885JAK2 3100/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885MAP3K11 3950/4885JAK2 3100/4885

“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.