SCHEMBL4065155

SCHEMBL4065155

COC(=O)c1nc(C(=O)OC)c2cccnc2c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.48
PSMD14 O00487 1/20 0.46
MAP2K1 Q02750 1/20 0.46
EGLN1 Q9GZT9 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BRD4 O60885 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CTSB P07858 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
RNASEH1 O60930 1/20 0.42
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42

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
SCHEMBL7258792 0.93 KDM4E (0.51) KDM4EL3MBTL1PSMD14MAP2K1EGLN1
SCHEMBL3241312 0.90 KDM4E (0.54) KDM4EL3MBTL1PSMD14MAP2K1EGLN1
SCHEMBL7258018 0.89 KDM4E (0.48) KDM4EL3MBTL1PSMD14MAP2K1EGLN1
SCHEMBL4062569 0.88 KDM4E (0.52) KDM4EL3MBTL1PSMD14MAP2K1EGLN1
SCHEMBL13993803 0.88 KDM4E (0.52) KDM4EL3MBTL1PSMD14MAP2K1EGLN1
SCHEMBL3239918 0.87 KDM4E (0.51) KDM4EL3MBTL1PSMD14MAP2K1KMT2A
SCHEMBL966397 0.87 KDM4E (0.51) KDM4EL3MBTL1PSMD14MAP2K1EGLN1
SCHEMBL4072643 0.80 KDM4E (0.44) KDM4EL3MBTL1PSMD14MAP2K1EGLN1
SCHEMBL967939 0.79 FEN1 (0.55) KDM4EL3MBTL1EGLN1ALDH1A1ALOX15
SCHEMBL4072645 0.79 KDM4E (0.43) KDM4EL3MBTL1PSMD14MAP2K1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP disclosed
EP-1496836-B1 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-09-24 EP disclosed
US-7323460-B2 N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-01-29 US disclosed
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors ANTHONY NEVILLE J (US) 2005-08-11 US disclosed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 US disclosed
WO-2003077857-A2 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-09-25 WO disclosed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 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 (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-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA KDM4E 288/4885L3MBTL1 1918/4885PSMD14 1220/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA KDM4E 288/4885L3MBTL1 1918/4885PSMD14 1220/4885

“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.