SCHEMBL3607063

SCHEMBL3607063

CS(=O)(=O)CCOc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.39
NAMPT P43490 1/20 0.38
MPO P05164 1/20 0.35
MAP4K4 O95819 2/20 0.35
DHFR P00374 1/20 0.34
PDE5A O76074 1/20 0.34
MCHR1 Q99705 3/20 0.34
MGMT P16455 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NOS1 P29475 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL3613582 0.86 MAPK1 (0.40) SCN9AMPOADORA2A
SCHEMBL4108718 0.86 CDK1 (0.39) SCN9AMPOMAP4K4DHFRMCHR1
SCHEMBL4113486 0.85 TLR8 (0.42) SCN9AMPODHFRPTGS1PTGS2
SCHEMBL3613491 0.85 SQOR (0.45) MPOMAP4K4DHFRPIK3CAADORA2A
SCHEMBL4524522 0.84 MAPT (0.46) SCN9AMPOMAP4K4DHFRMGMT
SCHEMBL4122428 0.83 MPO (0.39) SCN9AMPOMAP4K4DHFRMGMT
SCHEMBL3608749 0.83 NCF1 (0.38) MPOMAP4K4DHFRPDE5AADORA2A
SCHEMBL3601199 0.83 MPO (0.36) SCN9AMPOMAP4K4DHFRMGMT
SCHEMBL3614268 0.82 MPO (0.37) MPOMAP4K4DHFRPDE5ANOS1
SCHEMBL3617717 0.82 MPO (0.35) MPOMAP4K4DHFRADORA2AADORA1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US claimed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US claimed
WO-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US disclosed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US disclosed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US disclosed
WO-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 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 (1 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-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, PLPBP, PDXK SCN9A 1915/4885NAMPT 137/4885MPO 3705/4885

“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.