SCHEMBL5117464

SCHEMBL5117464

Cc1nc(-c2nc(O)c(O)c(C(=O)NCc3ccc4c(c3)OCO4)n2)cs1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 1/20 0.52
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
MMP13 P45452 1/20 0.50
HPGD P15428 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL5121844 0.83 ERCC1 (0.46) L3MBTL1SMN1; SMN2TDP1NPC1KMT2A
SCHEMBL5114937 0.83 HIF1A (0.45) NPC1KMT2AMEN1MAPTGAA
SCHEMBL5116718 0.82 TDP1 (0.67) PKMSMN1; SMN2TDP1NPC1HSD17B10
SCHEMBL5123518 0.80 HPGD (0.62) L3MBTL1SMN1; SMN2TDP1HSD17B10KMT2A
SCHEMBL5127762 0.80 HSD17B10 (0.55) L3MBTL1PKMSMN1; SMN2TDP1HSD17B10
SCHEMBL14325812 0.78 SMN1; SMN2 (0.55) L3MBTL1PKMSMN1; SMN2TDP1NPC1
SCHEMBL5119378 0.78 MAOB (0.45) TDP1NPC1KMT2AMEN1MAPK1
SCHEMBL5140050 0.77 ADORA3 (0.56) SMN1; SMN2TDP1NPC1HSD17B10KMT2A
SCHEMBL5121138 0.76 HSD17B10 (0.57) L3MBTL1SMN1; SMN2TDP1NPC1HSD17B10
SCHEMBL5114175 0.74 L3MBTL1 (0.51) L3MBTL1TDP1HSD17B10KMT2AMEN1

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 1145/4885PKM 2216/4885SMN1; SMN2 4143/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP L3MBTL1 1213/4885PKM 2227/4885SMN1; SMN2 4190/4885

“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.