SCHEMBL3755307

SCHEMBL3755307

CCOc1nc(N)nc2ncc(-c3cccc(Cl)c3Cl)nc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
PDCD1 Q15116 8/20 0.44
CD274 Q9NZQ7 8/20 0.44
NUDT1 P36639 2/20 0.43
NOS1 P29475 3/20 0.40
PTPN11 Q06124 3/20 0.39
MPO P05164 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3760969 0.91 L3MBTL1 (0.47) PTPN1PDCD1CD274NOS1MPO
SCHEMBL3759391 0.87 NOS1 (0.42) PTPN1NOS1MPO
SCHEMBL4779102 0.83 ALOX5AP (0.35) PTPN1PDCD1CD274NUDT1NOS1
SCHEMBL3765833 0.82 NOS1 (0.53) NOS1MPO
SCHEMBL3757233 0.82 MAPT (0.48) PTPN1NOS1MPOL3MBTL1
SCHEMBL4528794 0.82 PTPN1 (0.45) PTPN1CD274NUDT1PTPN11GAA
SCHEMBL3769692 0.82 NOS1 (0.44) PTPN1NOS1MPOMAPK1
SCHEMBL3762339 0.82 NOS1 (0.44) NOS1
SCHEMBL3758132 0.82 PDE1B (0.47) NOS1
SCHEMBL3762597 0.82 NOS1 (0.37) PDCD1CD274NOS1MPO

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-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
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 PTPN1 2905/4885PDCD1 2402/4885CD274 4099/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 PTPN1 2905/4885PDCD1 2402/4885CD274 4099/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 PTPN1 2905/4885PDCD1 2402/4885CD274 4099/4885

“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.