SCHEMBL4573402

SCHEMBL4573402

CCOc1nc(NCc2ccc(OC)cc2)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
TP53 P04637 4/20 0.47
CLK1 P49759 2/20 0.47
CLK2 P49760 2/20 0.47
DYRK1A Q13627 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR35 Q9HC97 1/20 0.43
KCNH3 Q9ULD8 2/20 0.42
ADORA2A P29274 1/20 0.42
ACP1 P24666 2/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41

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
SCHEMBL5123850 0.94 MAPT (0.43) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL5114670 0.89 MAPT (0.40) MAPTTP53SMN1; SMN2KCNH3ADORA2A
SCHEMBL4573442 0.89 TP53 (0.47) MAPTTP53SMN1; SMN2KCNH3ADORA2A
SCHEMBL5111070 0.87 MAPT (0.50) MAPTTP53CLK1CLK2DYRK1A
SCHEMBL5122033 0.87 CTNNB1 (0.39) MAPTTP53CLK4NPC1RAB9A
Dimethylamine SCHEMBL5122039 0.87 TP53 (0.46) MAPTTP53SMN1; SMN2KCNH3ADORA2A
SCHEMBL5115353 0.86 MAP4K4 (0.40) MAPTTP53SMN1; SMN2ADORA2A
SCHEMBL5123178 0.86 MAPT (0.40) MAPTTP53RXFP1SMN1; SMN2MEN1
SCHEMBL5111887 0.86 MAPT (0.39) MAPTTP53SMN1; SMN2ADORA2A
SCHEMBL5121004 0.86 MKNK1 (0.39) MAPTTP53MEN1KMT2AKCNH3

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 8 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
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 1223/4885CLK1 3494/4885

“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.