SCHEMBL5122033

SCHEMBL5122033

CCOc1nc(NCc2ccc(N(C)C)cc2)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
MAPT P10636 5/20 0.39
SYK P43405 1/20 0.38
TP53 P04637 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
AURKA O14965 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36

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 0.93 MAPT (0.43) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL5114670 0.88 MAPT (0.40) MAPTSYKTP53CYP1A2CYP3A4
SCHEMBL4573442 0.88 TP53 (0.47) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4573402 0.87 MAPT (0.53) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL5115390 0.86 CYP1A2 (0.42) CTNNB1TCF7L2MAPTTP53MEN1
Dimethylamine SCHEMBL5122039 0.86 TP53 (0.46) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5115353 0.85 MAP4K4 (0.40) MAPTTP53SMN1; SMN2AURKAABL1
SCHEMBL5111887 0.85 MAPT (0.39) MAPTTP53SMN1; SMN2AURKAABL1
SCHEMBL5121004 0.85 MKNK1 (0.39) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL5123349 0.84 PTGS2 (0.55) MAPTMAPK1MAPK8PTGS2PTGS1

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 CTNNB1 1384/4885TCF7L2 3616/4885MAPT 3290/4885

“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.