SCHEMBL5116898

SCHEMBL5116898

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 9/20 0.40
TCF7L2 Q9NQB0 9/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
JAK2 O60674 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KCNQ3 O43525 2/20 0.37
KCNQ2 O43526 2/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
ABCB11 O95342 1/20 0.37
ESR1 P03372 1/20 0.37
CYP1A2 P05177 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
SCHEMBL5116329 0.92 CTNNB1 (0.41) CTNNB1TCF7L2KDM4EPOLBJAK2
SCHEMBL5110248 0.91 CTNNB1 (0.41) CTNNB1TCF7L2ALDH1A1MAPTRXFP1
SCHEMBL5121622 0.89 CTNNB1 (0.40) CTNNB1TCF7L2POLBMAPTRXFP1
SCHEMBL14131735 0.87 CTNNB1 (0.39) CTNNB1TCF7L2POLBALDH1A1MAPT
SCHEMBL5123850 0.87 MAPT (0.43) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL14131671 0.86 SSTR5 (0.43) CTNNB1TCF7L2POLBALDH1A1MAPT
SCHEMBL14131725 0.86 CTNNB1 (0.44) CTNNB1TCF7L2POLBHDAC1MEN1
SCHEMBL5114661 0.85 VNN1 (0.39) CTNNB1TCF7L2HDAC1HDAC6MAPT
SCHEMBL5117245 0.85 VNN1 (0.39) CTNNB1TCF7L2HDAC1HDAC6MAPT
SCHEMBL14140183 0.85 CTNNB1 (0.40) CTNNB1TCF7L2MEN1KMT2A

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 6 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

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.