SCHEMBL5116008

SCHEMBL5116008

CCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(F)c(Cl)c3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ADORA2A P29274 2/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPV3 Q8NET8 1/20 0.38
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37
NR1H4 Q96RI1 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
DYRK1A Q13627 3/20 0.36
CLK4 Q9HAZ1 3/20 0.36
DYRK1B Q9Y463 2/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP4K4 O95819 1/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL5114865 0.94 MAPT (0.41) MAPTADORA2ATP53TDP1EGFR
SCHEMBL5123850 0.89 MAPT (0.43) MAPTADORA2ATP53TDP1EGFR
SCHEMBL5116355 0.89 CA1 (0.48) MEN1KMT2APTGS2PTGS1
SCHEMBL5110852 0.89 DYRK1A (0.40) MAPTADORA2ATP53TDP1EGFR
SCHEMBL5111887 0.87 MAPT (0.39) MAPTADORA2ATP53TDP1EGFR
SCHEMBL5110245 0.86 MAPT (0.38) MAPTADORA2ATP53TDP1EGFR
SCHEMBL5122005 0.84 CA9 (0.41) MAPTADORA2ATP53TDP1EGFR
SCHEMBL5111832 0.84 MAPT (0.36) MAPTADORA2ATP53TDP1TRPV3
SCHEMBL5121955 0.84 MAPT (0.38) MAPTADORA2ATP53TDP1EGFR
SCHEMBL5114670 0.84 MAPT (0.40) MAPTADORA2ATP53TDP1EGFR

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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP MAPT 3290/4885ADORA2A 260/4885TP53 1223/4885

“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.