SCHEMBL5116196

SCHEMBL5116196

CCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(C(=O)NC(C)(C)CN4CCCC4)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
CTNNB1 P35222 9/20 0.40
TCF7L2 Q9NQB0 9/20 0.40
MCHR1 Q99705 9/20 0.37
HTR2C P28335 5/20 0.37
MAP4K4 O95819 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
SCHEMBL5121639 0.94 MAP4K4 (0.43) HDAC4CTNNB1TCF7L2MCHR1HTR2C
SCHEMBL5116007 0.90 CA1 (0.41) HDAC4
SCHEMBL5121915 0.88 MAP4K4 (0.46) HDAC4CTNNB1TCF7L2MAP4K4
SCHEMBL5122080 0.87 HDAC4 (0.42) HDAC4MCHR1HTR2CMAP4K4
SCHEMBL5107465 0.81 CTNNB1 (0.47) CTNNB1TCF7L2MCHR1
SCHEMBL5117245 0.81 VNN1 (0.39) CTNNB1TCF7L2
SCHEMBL5114661 0.81 VNN1 (0.39) CTNNB1TCF7L2
SCHEMBL5123850 0.80 MAPT (0.43)
SCHEMBL14131742 0.80 HDAC1 (0.44) CTNNB1TCF7L2
SCHEMBL5108650 0.80 CTNNB1 (0.43) CTNNB1TCF7L2MCHR1HTR2C

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 HDAC4 3964/4885CTNNB1 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.