SCHEMBL3761952

SCHEMBL3761952

CCOc1nc(N)nc2ncc(-c3cc(F)ccc3OC)nc12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.45
DHFR P00374 1/20 0.37
CHRNA7 P36544 1/20 0.36
MPO P05164 2/20 0.36
ENPP1 P22413 1/20 0.36

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
SCHEMBL3766675 0.88 NOS1 (0.46) NOS1DHFR
SCHEMBL3755253 0.88 GRIN2B (0.39) NOS1DHFRMPO
SCHEMBL4452427 0.86 HSP90AA1 (0.46) NOS1DHFRCHRNA7
SCHEMBL4782311 0.86 NOS1 (0.42) NOS1DHFRENPP1
SCHEMBL3765540 0.85 MPO (0.38) NOS1DHFRMPO
SCHEMBL3764007 0.84 TLR8 (0.39) NOS1DHFRMPO
SCHEMBL3760895 0.84 MPO (0.40) NOS1MPO
SCHEMBL3760447 0.84 DHFR (0.44) NOS1DHFRENPP1
SCHEMBL4534037 0.83 AMY1A (0.38) DHFRCHRNA7
SCHEMBL3756936 0.83 NOS1 (0.55) NOS1DHFR

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 4 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
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 2154/4885DHFR 10/4885CHRNA7 4827/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885DHFR 10/4885CHRNA7 4827/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885DHFR 10/4885CHRNA7 4827/4885

“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.