SCHEMBL4573442

SCHEMBL4573442

CCOc1nc(NCc2ccccc2)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KCNH3 Q9ULD8 2/20 0.43
MAPT P10636 3/20 0.42
ADORA2A P29274 1/20 0.42
MPO P05164 1/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK14 Q16539 1/20 0.40
PTGS2 P35354 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
NTRK1 P04629 1/20 0.39
GRK6 P43250 1/20 0.39

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
Dimethylamine SCHEMBL5122039 0.98 TP53 (0.46) TP53SMN1; SMN2KCNH3MAPTADORA2A
SCHEMBL5123850 0.94 MAPT (0.43) TP53SMN1; SMN2KCNH3MAPTADORA2A
SCHEMBL5108425 0.91 ACP1 (0.43) MAPTGRK6APPBCHEACHE
SCHEMBL4573823 0.91 MAP4K4 (0.43) TP53SMN1; SMN2MAPTADORA2AGAA
SCHEMBL5114670 0.89 MAPT (0.40) TP53SMN1; SMN2KCNH3MAPTADORA2A
SCHEMBL5115353 0.89 MAP4K4 (0.40) TP53SMN1; SMN2MAPTADORA2AMAPK14
SCHEMBL14131706 0.89 TP53 (0.49) TP53SMN1; SMN2KCNH3MAPTADORA2A
SCHEMBL5115678 0.89 PDE5A (0.44) TP53SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4573402 0.89 MAPT (0.53) TP53SMN1; SMN2KCNH3MAPTADORA2A
SCHEMBL5122033 0.88 CTNNB1 (0.39) TP53SMN1; SMN2MAPTADORA2AKDM4E

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 TP53 1223/4885SMN1; SMN2 2183/4885KCNH3 2651/4885

“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.