SCHEMBL3765472

SCHEMBL3765472

CCOc1nc(N)nc2ncc(-c3ccc(OC)c(OCc4ccccc4)c3)nc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.62
CYP3A4 P08684 2/20 0.43
MGMT P16455 2/20 0.43
MPO P05164 1/20 0.43
TPO P07202 1/20 0.43
EPX P11678 1/20 0.43
ALOX5AP P20292 1/20 0.42
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CDK1 P06493 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CCNB1 P14635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
CCNA1 P78396 1/20 0.40

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
SCHEMBL4454283 0.89 NOS1 (0.67) NOS1TSHR
SCHEMBL3763817 0.84 NOS1 (0.49) NOS1CYP3A4MGMTMPOTPO
SCHEMBL3762199 0.84 NOS1 (0.57) NOS1CYP3A4TSHR
SCHEMBL3766641 0.82 NOS1 (0.46) NOS1CYP3A4MGMTMPOTPO
SCHEMBL3766518 0.82 MGMT (0.47) NOS1CYP3A4MGMTMPOTPO
SCHEMBL3756936 0.82 NOS1 (0.55) NOS1
SCHEMBL3766480 0.82 NOS1 (0.55) NOS1TSHR
SCHEMBL4452407 0.80 NOS1 (0.58) NOS1TSHR
SCHEMBL3760884 0.80 NOS1 (0.53) NOS1
SCHEMBL5523485 0.80 NOS1 (0.55) NOS1

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 2154/4885CYP3A4 127/4885MGMT 1021/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885CYP3A4 127/4885MGMT 1021/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885CYP3A4 127/4885MGMT 1021/4885

“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.