SCHEMBL3609814

SCHEMBL3609814

Nc1nc(O[C@H]2CCOC2)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MAP4K4 O95819 3/20 0.36
PIK3CA P42336 3/20 0.35
MTOR P42345 3/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
GAK O14976 1/20 0.35
AKT1 P31749 1/20 0.35
LRRK2 Q5S007 2/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
GRM4 Q14833 1/20 0.34
PDE5A O76074 1/20 0.33
MAPK14 Q16539 1/20 0.33
DHFR P00374 1/20 0.33
FFAR2 O15552 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL13500401 1.00 HDAC1 (0.39) HDAC1HDAC2MAP4K4PIK3CAMTOR
SCHEMBL3605007 1.00 HDAC1 (0.39) HDAC1HDAC2MAP4K4PIK3CAMTOR
SCHEMBL3612774 0.93 HDAC1 (0.43) HDAC1HDAC2MAP4K4PIK3CAGAK
SCHEMBL4421609 0.91 MTOR (0.38) MAP4K4PIK3CAMTORAKT1LRRK2
SCHEMBL4423840 0.88 ALOX5AP (0.38) HDAC1HDAC2MAP4K4PIK3CAMTOR
SCHEMBL4421606 0.85 CHEK2 (0.40) MAP4K4MTORGRM4
SCHEMBL3609165 0.85 PDE5A (0.38) HDAC1HDAC2MAP4K4GAKALOX5AP
SCHEMBL3614537 0.85 PDE5A (0.40) HDAC1HDAC2MAP4K4GAKALOX5AP
SCHEMBL3610572 0.84 PDE5A (0.42) HDAC1HDAC2MAP4K4GAKALOX5AP
SCHEMBL1790359 0.83 MAP4K4 (0.33) HDAC1HDAC2MAP4K4MTORGAK

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 11 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
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 HDAC1 2150/4885HDAC2 1808/4885MAP4K4 1170/4885

“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.