SCHEMBL5114865

SCHEMBL5114865

CCOc1nc(NCc2ccc(F)c(Cl)c2)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
TP53 P04637 1/20 0.41
ADORA2A P29274 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DYRK1A Q13627 5/20 0.40
CLK4 Q9HAZ1 5/20 0.40
CLK1 P49759 3/20 0.40
CLK2 P49760 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GRM4 Q14833 1/20 0.37
BCDIN3D Q7Z5W3 1/20 0.36
AURKA O14965 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35
CSF1R P07333 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
SCHEMBL5116008 0.94 MAPT (0.41) MAPTTP53ADORA2ATDP1DYRK1A
SCHEMBL5110852 0.92 DYRK1A (0.40) MAPTTP53ADORA2ATDP1DYRK1A
SCHEMBL5111887 0.91 MAPT (0.39) MAPTTP53ADORA2ATDP1AURKA
SCHEMBL5123850 0.89 MAPT (0.43) MAPTTP53ADORA2ATDP1AURKA
SCHEMBL5111832 0.86 MAPT (0.36) MAPTTP53ADORA2ATDP1DYRK1A
SCHEMBL5121955 0.86 MAPT (0.38) MAPTTP53ADORA2ATDP1AURKA
SCHEMBL5115353 0.86 MAP4K4 (0.40) MAPTTP53ADORA2ATDP1AURKA
SCHEMBL4573823 0.85 MAP4K4 (0.43) MAPTTP53ADORA2ACLK4NTRK1
SCHEMBL5123779 0.85 MAPT (0.43) MAPTTP53ADORA2ATDP1AURKA
SCHEMBL5116226 0.85 NTRK1 (0.42) MAPTTP53ADORA2ATDP1BCDIN3D

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 3290/4885TP53 1223/4885ADORA2A 260/4885

“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.