SCHEMBL3766518

SCHEMBL3766518

CCOc1nc(N)nc2ncc(-c3ccccc3OCc3ccccc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 3/20 0.47
CYP3A4 P08684 2/20 0.47
MPO P05164 1/20 0.47
TPO P07202 1/20 0.47
EPX P11678 1/20 0.47
BRD4 O60885 2/20 0.45
TLR4 O00206 1/20 0.44
TLR3 O15455 1/20 0.44
TLR5 O60602 1/20 0.44
TLR2 O60603 1/20 0.44
CAMK2B Q13554 1/20 0.44
CAMK2G Q13555 1/20 0.44
CAMK2D Q13557 1/20 0.44
CAMK1 Q14012 1/20 0.44
CAMK4 Q16566 1/20 0.44
PNCK Q6P2M8 1/20 0.44
CAMK1D Q8IU85 1/20 0.44
CAMK1G Q96NX5 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44

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
SCHEMBL3762339 0.91 NOS1 (0.44) NOS1
SCHEMBL4452427 0.86 HSP90AA1 (0.46) NOS1TSHR
SCHEMBL3760633 0.84 MAOB (0.44) NOS1
SCHEMBL4530985 0.83 DCPS (0.46) MGMTCYP3A4MPOTPOEPX
SCHEMBL3755480 0.83 NOS1 (0.40) NOS1
SCHEMBL3765472 0.82 NOS1 (0.62) MGMTCYP3A4MPOTPOEPX
SCHEMBL3769692 0.82 NOS1 (0.44) MGMTCYP3A4MPOTPOEPX
SCHEMBL3766641 0.81 NOS1 (0.46) MGMTCYP3A4MPOTPOEPX
SCHEMBL3760449 0.81 NOS1 (0.44) TLR8NOS1CYP1A2LMNACYP2C9
SCHEMBL3760969 0.81 L3MBTL1 (0.47) MGMTCYP3A4MPOTPOEPX

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 6 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

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 MGMT 1021/4885CYP3A4 127/4885MPO 2288/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 MGMT 1021/4885CYP3A4 127/4885MPO 2288/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 MGMT 1021/4885CYP3A4 127/4885MPO 2288/4885

“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.