SCHEMBL4770917

SCHEMBL4770917

CCNC(=O)c1cc(F)ccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.44
KDM4A O75164 1/20 0.43
GRM2 Q14416 1/20 0.39
PDE10A Q9Y233 1/20 0.39
HDAC6 Q9UBN7 2/20 0.37
EPHX2 P34913 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
RPS6KA1 Q15418 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
DDR1 Q08345 1/20 0.36
HDAC10 Q969S8 1/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
LMNA P02545 1/20 0.36
PPARG P37231 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
SCHEMBL7257857 0.90 KCNA5 (0.47) KCNA5KDM4AGRM2PDE10AEPHX2
SCHEMBL2522396 0.89 KCNA5 (0.42) KCNA5KDM4AGRM2PDE10AHDAC6
SCHEMBL4769004 0.86 KCNA5 (0.46) KCNA5KDM4AGRM2HDAC6EPHX2
SCHEMBL4763233 0.86 GRM2 (0.48) KCNA5KDM4AGRM2RPS6KA1CTSS
SCHEMBL1654700 0.86 KDM4A (0.42) KCNA5KDM4AGRM2EPHX2L3MBTL1
SCHEMBL4762143 0.85 KDM4A (0.41) KCNA5KDM4AGRM2EPHX2L3MBTL1
SCHEMBL10012827 0.84 TSHR (0.43) KCNA5KDM4AGRM2EPHX2L3MBTL1
SCHEMBL2527064 0.83 HPGD (0.47) KCNA5ACACBACACALMNA
SCHEMBL4762246 0.82 KDM4A (0.40) KCNA5KDM4AGRM2EPHX2L3MBTL1
SCHEMBL29726461 0.82 GRM2 (0.44) KCNA5KDM4AGRM2HDAC6EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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
EP-1496836-A4 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2006-03-22 EP disclosed
US-20050176955-A1 N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2005-08-11 US disclosed
EP-1496836-A2 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2003077850-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
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

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-20050176955-A1 N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as hiv integrase inhibitors CDK8, PNP, HINT1 KCNA5 3584/4885KDM4A 940/4885GRM2 4851/4885

“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.