SCHEMBL3752927

SCHEMBL3752927

CCOc1nc(N)nc2ncc(-c3cc(Br)cnc3Br)nc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.37
PIK3CG P48736 3/20 0.34
PDPK1 O15530 1/20 0.34
AGPAT2 O15120 3/20 0.34
DHFR P00374 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MGMT P16455 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MPO P05164 1/20 0.32

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
SCHEMBL3760518 0.82 NOS1 (0.41) NOS1PIK3CGPDPK1PIK3CAPIK3CB
SCHEMBL3755682 0.80 NOS1 (0.39) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3762597 0.78 NOS1 (0.37) NOS1PIK3CGAGPAT2MGMTMPO
SCHEMBL3755488 0.78 NOS1 (0.37) NOS1PIK3CGDHFRPIK3CAPIK3CB
SCHEMBL3767261 0.78 NOS1 (0.32) NOS1PIK3CGDHFRMGMT
SCHEMBL3758392 0.76 BRAF (0.45) NOS1PIK3CGDHFRPIK3CAPIK3CB
SCHEMBL3757233 0.76 MAPT (0.48) NOS1AGPAT2DHFRMPO
SCHEMBL3752778 0.76 NOS1 (0.42) NOS1PIK3CGDHFRPIK3CAPIK3CB
SCHEMBL3760830 0.76 NOS1 (0.38) NOS1PIK3CGDHFRPIK3CAPIK3CB
SCHEMBL3761138 0.76 NOS1 (0.42) NOS1PIK3CGPDPK1DHFRPIK3CA

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 2154/4885PIK3CG 2660/4885PDPK1 3256/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CG 2660/4885PDPK1 3256/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CG 2660/4885PDPK1 3256/4885

“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.