SCHEMBL5117093

SCHEMBL5117093

CCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(C(=O)NC4(C#N)CC4)cc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.39
CTNNB1 P35222 12/20 0.37
TCF7L2 Q9NQB0 12/20 0.37
ACSS2 Q9NR19 1/20 0.37
CTSS P25774 2/20 0.36
CTSB P07858 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
PRKAA2 P54646 1/20 0.35
VNN1 O95497 1/20 0.35
DGAT2 Q96PD7 1/20 0.34

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
SCHEMBL5114018 0.89 CA1 (0.42) ACSS2MAPK8MAPK9
SCHEMBL5115881 0.85 CTSL (0.34) CTSLCTNNB1TCF7L2CTSSCTSB
SCHEMBL14131942 0.85 CTSL (0.34) CTSLCTNNB1TCF7L2CTSSCTSB
SCHEMBL5107465 0.83 CTNNB1 (0.47) CTNNB1TCF7L2
SCHEMBL5114661 0.82 VNN1 (0.39) CTNNB1TCF7L2VNN1
SCHEMBL5117245 0.82 VNN1 (0.39) CTNNB1TCF7L2VNN1
SCHEMBL5123850 0.82 MAPT (0.43) MAPK8
SCHEMBL5115390 0.81 CYP1A2 (0.42) CTNNB1TCF7L2
SCHEMBL5121915 0.81 MAP4K4 (0.46) CTNNB1TCF7L2VNN1DGAT2
SCHEMBL5123118 0.80 MAP4K4 (0.47) CTNNB1TCF7L2

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 CTSL 848/4885CTNNB1 1384/4885TCF7L2 3616/4885

“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.