SCHEMBL5113659

SCHEMBL5113659

O=C(NCc1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1)c1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
CYP3A4 P08684 1/20 0.54
MAPK14 Q16539 1/20 0.54
NAMPT P43490 2/20 0.49
HSD17B10 Q99714 1/20 0.47
ROCK2 O75116 3/20 0.47
ERCC1 P07992 1/20 0.46
FEN1 P39748 1/20 0.46
ERCC4 Q92889 1/20 0.46
LMNA P02545 1/20 0.45
CXCR4 P61073 1/20 0.44
RPS6KA5 O75582 1/20 0.43
MAP4K4 O95819 1/20 0.43
PRKCG P05129 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
MAPK1 P28482 1/20 0.43
AKT1 P31749 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL5127980 0.90 CXCR4 (0.53) L3MBTL1ERCC1FEN1ERCC4LMNA
SCHEMBL5127309 0.85 ERCC1 (0.46) L3MBTL1ERCC1FEN1ERCC4LMNA
SCHEMBL5127445 0.83 NPC1 (0.53) L3MBTL1LMNACXCR4
SCHEMBL14609911 0.83 ERCC1 (0.48) L3MBTL1ERCC1FEN1ERCC4LMNA
SCHEMBL1569192 0.83 L3MBTL1 (1.00) L3MBTL1CYP3A4MAPK14NAMPTHSD17B10
SCHEMBL5128003 0.82 ALDH1A1 (0.50) L3MBTL1ERCC1FEN1ERCC4LMNA
SCHEMBL5113424 0.80 ERCC1 (0.46) L3MBTL1ERCC1FEN1ERCC4LMNA
SCHEMBL5123444 0.80 LMNA (0.44) L3MBTL1ERCC1FEN1ERCC4LMNA
SCHEMBL5113675 0.80 ERCC1 (0.48) ERCC1FEN1ERCC4LMNACXCR4
SCHEMBL5129033 0.79 ALDH1A1 (0.50) L3MBTL1ERCC1FEN1ERCC4LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 EP disclosed
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-04-07 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 (2 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-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase DUT, DPYD, TYMP L3MBTL1 1145/4885CYP3A4 233/4885MAPK14 2444/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP L3MBTL1 1213/4885CYP3A4 213/4885MAPK14 2444/4885

“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.