SCHEMBL5121622

SCHEMBL5121622

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 11/20 0.40
TCF7L2 Q9NQB0 11/20 0.40
MAPT P10636 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PTGS2 P35354 3/20 0.36
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
MAPK1 P28482 2/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 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
SCHEMBL5110248 0.90 CTNNB1 (0.41) CTNNB1TCF7L2MAPTRXFP1PTGS2
SCHEMBL5122249 0.89 CA2 (0.47) PTGS2
SCHEMBL5116898 0.89 CTNNB1 (0.40) CTNNB1TCF7L2MAPTRXFP1PTGS2
SCHEMBL14131735 0.88 CTNNB1 (0.39) CTNNB1TCF7L2MAPTRXFP1PTGS2
SCHEMBL5116329 0.88 CTNNB1 (0.41) CTNNB1TCF7L2MAPTRXFP1AURKA
SCHEMBL5123850 0.86 MAPT (0.43) MAPTPTGS2CYP1A2CYP2D6CYP2C9
SCHEMBL14131725 0.85 CTNNB1 (0.44) CTNNB1TCF7L2MAPK8MAPK14POLB
SCHEMBL14131671 0.85 SSTR5 (0.43) CTNNB1TCF7L2MAPTMAPK1AURKA
SCHEMBL5109339 0.85 CTNNB1 (0.42) CTNNB1TCF7L2MAPTRXFP1PTGS2
SCHEMBL5114661 0.85 VNN1 (0.39) CTNNB1TCF7L2MAPTPTGS2KCNQ3

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.