SCHEMBL5122080

SCHEMBL5122080

CCOc1nc(NC2(c3ccc(F)cc3)CC2)nc2ccc(-c3ccc(C(=O)NC(C)(C)CN4CCCC4)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
MAP4K4 O95819 2/20 0.34
MCHR1 Q99705 9/20 0.34
HTR2C P28335 6/20 0.34
DYRK1A Q13627 2/20 0.33
NAMPT P43490 1/20 0.33
JAK1 P23458 1/20 0.32
SCN9A Q15858 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL5116196 0.87 HDAC4 (0.44) HDAC4MAP4K4MCHR1HTR2C
SCHEMBL5121639 0.81 MAP4K4 (0.43) HDAC4HDAC1MAP4K4MCHR1HTR2C
SCHEMBL5116007 0.78 CA1 (0.41) HDAC4
SCHEMBL5121915 0.75 MAP4K4 (0.46) HDAC4HDAC3HDAC1HDAC2HDAC6
SCHEMBL5117093 0.68 CTSL (0.39)
SCHEMBL823748 0.68 HDAC4 (0.44) HDAC4MAP4K4NAMPTJAK1
SCHEMBL825965 0.68 HDAC4 (0.44) HDAC4MAP4K4NAMPTJAK1
SCHEMBL5107465 0.68 CTNNB1 (0.47) MCHR1NAMPT
SCHEMBL5108650 0.67 CTNNB1 (0.43) MCHR1HTR2C
SCHEMBL14131742 0.67 HDAC1 (0.44) HDAC1HDAC2

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 3964/4885HDAC3 2276/4885HDAC1 2782/4885

“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.