SCHEMBL5116329

SCHEMBL5116329

CCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(NC(=O)CO)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 10/20 0.41
TCF7L2 Q9NQB0 10/20 0.41
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AURKA O14965 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT3 P36888 1/20 0.37
MAPK8 P45983 1/20 0.37
CDK8 P49336 1/20 0.37
MAP2K1 Q02750 1/20 0.37

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
SCHEMBL5116898 0.92 CTNNB1 (0.40) CTNNB1TCF7L2KDM4EPOLBMEN1
SCHEMBL5110248 0.90 CTNNB1 (0.41) CTNNB1TCF7L2AURKAABL1NTRK1
SCHEMBL5121622 0.88 CTNNB1 (0.40) CTNNB1TCF7L2POLBAURKAABL1
SCHEMBL5123850 0.88 MAPT (0.43) KDM4EMEN1KMT2AAURKAABL1
SCHEMBL14131725 0.87 CTNNB1 (0.44) CTNNB1TCF7L2POLBMEN1KMT2A
SCHEMBL14131671 0.87 SSTR5 (0.43) CTNNB1TCF7L2POLBAURKAABL1
SCHEMBL14131735 0.86 CTNNB1 (0.39) CTNNB1TCF7L2POLBMAPTRXFP1
SCHEMBL5114918 0.85 RECQL (0.42) CTNNB1TCF7L2
SCHEMBL14131742 0.85 HDAC1 (0.44) CTNNB1TCF7L2POLBMEN1KMT2A
SCHEMBL5114661 0.84 VNN1 (0.39) CTNNB1TCF7L2MAPK14MAPTHDAC1

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 3616/4885KDM4E 3976/4885

“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.