SCHEMBL5115260

SCHEMBL5115260

CC(=O)c1cccc(C#CCNC(=O)c2nc(-c3cccs3)nc(O)c2O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 3/20 0.40
ERCC1 P07992 4/20 0.40
FEN1 P39748 4/20 0.40
ERCC4 Q92889 4/20 0.40
DNASE1 P24855 1/20 0.40
ADORA1 P30542 2/20 0.39
FYN P06241 1/20 0.38
GRK5 P34947 1/20 0.38
ALOX15 P16050 2/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAOB P27338 1/20 0.37
GAA P10253 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
SCHEMBL5129158 0.88 MAOB (0.44) ADORA3ADORA2AERCC1FEN1ERCC4
SCHEMBL5117550 0.78 ERCC1 (0.46) KMT2AADORA3ADORA2AERCC1FEN1
SCHEMBL5123552 0.74 SMN1; SMN2 (0.61) MEN1KMT2AERCC1FEN1ERCC4
SCHEMBL5115308 0.73 LMNA (0.48) KMT2AADORA2AERCC1FEN1ERCC4
SCHEMBL5129189 0.73 NPC1 (0.47) MEN1KMT2AERCC1FEN1ERCC4
SCHEMBL5139628 0.72 LMNA (0.63) MEN1KMT2AADORA2AERCC1FEN1
SCHEMBL5129249 0.72 ERCC1 (0.53) MEN1KMT2AERCC1FEN1ERCC4
SCHEMBL5122436 0.72 ERCC1 (0.48) KMT2AERCC1FEN1ERCC4DNASE1
SCHEMBL5127644 0.71 POLB (0.43) MEN1KMT2AERCC1FEN1ERCC4
SCHEMBL5251324 0.71 LMNA (0.48) KMT2AERCC1FEN1ERCC4KDM4E

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 MEN1 4445/4885KMT2A 914/4885ADORA3 900/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP MEN1 4519/4885KMT2A 760/4885ADORA3 859/4885

“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.