SCHEMBL3760447

SCHEMBL3760447

CCOc1nc(N)nc2ncc(-c3cc(C=O)ccc3OC)nc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.44
NOS1 P29475 4/20 0.43
ALDH1A1 P00352 4/20 0.38
FDPS P14324 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 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 0.85 NOS1 (0.46) DHFRNOS1
SCHEMBL3761952 0.84 NOS1 (0.45) DHFRNOS1ENPP1
SCHEMBL3758229 0.82 NOS1 (0.52) NOS1
SCHEMBL3765576 0.82 NOS1 (0.50) NOS1
SCHEMBL4452427 0.82 HSP90AA1 (0.46) DHFRNOS1ALDH1A1GAATSHR
SCHEMBL3765638 0.80 PIK3CG (0.46) NOS1ALDH1A1
SCHEMBL3767322 0.80 NOS1 (0.44) DHFRNOS1ALDH1A1GAA
SCHEMBL4454283 0.78 NOS1 (0.67) NOS1ALDH1A1TSHR
SCHEMBL3768139 0.78 NOS1 (0.41) NOS1ALDH1A1GAA
SCHEMBL3765359 0.77 ALDH1A1 (0.39) DHFRNOS1ALDH1A1GAA

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 DHFR 10/4885NOS1 2154/4885ALDH1A1 1548/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 DHFR 10/4885NOS1 2154/4885ALDH1A1 1548/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 DHFR 10/4885NOS1 2154/4885ALDH1A1 1548/4885

“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.