SCHEMBL5123288

SCHEMBL5123288

CCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(N4CCC(O)C4=O)cc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.38
ALDH1A1 P00352 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.34
MAPT P10636 2/20 0.34
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
PDE5A O76074 2/20 0.34
HCRTR2 O43614 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MCHR1 Q99705 2/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
TTK P33981 1/20 0.33

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
SCHEMBL5121448 0.89 CA1 (0.43) ROCK2ALDH1A1PTGS2
SCHEMBL5114236 0.86 ALDH1A1 (0.39) ALDH1A1MKNK1
SCHEMBL5114412 0.85 LMNA (0.44) ALDH1A1
SCHEMBL5123850 0.83 MAPT (0.43) ALDH1A1MAPTPTGS2PTGS1MKNK1
SCHEMBL5108262 0.82 ROCK2 (0.36) ROCK2DNMT3AMAPTPTGS2PTGS1
SCHEMBL5114670 0.80 MAPT (0.40) MAPTPTGS2PTGS1MKNK1TLR7
SCHEMBL14131725 0.79 CTNNB1 (0.44) CTNNB1TCF7L2
SCHEMBL5107465 0.79 CTNNB1 (0.47) MAPTMKNK1MCHR1CTNNB1TCF7L2
SCHEMBL4573442 0.78 TP53 (0.47) ALDH1A1MAPTPTGS2PDE5A
SCHEMBL5108200 0.78 CA1 (0.41) ALDH1A1MAPTPTGS2PTGS1MKNK1

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 ROCK2 4669/4885ALDH1A1 1142/4885DNMT3A 2770/4885

“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.