Sugi Predict

Sugi Predict / Compounds / SCHEMBL4067974

SCHEMBL4067974

SCHEMBL4067974

COC(=O)c1nc(N2CCCCS2(O)O)c2cccnc2c1O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 7/20 0.56
▸ KDM4E B2RXH2 4/20 0.42
▸ MAPT P10636 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ COMT P21964 3/20 0.37
▸ POLB P06746 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL7262571 0.97 CALCA (0.53) CALCAKDM4EMAPTTP53ALOX15
SCHEMBL4067964 0.90 CALCA (0.69) CALCAKDM4EMAPTTP53ALOX15
SCHEMBL4072599 0.89 CALCA (0.68) CALCAKDM4EMAPTTP53ALOX15
SCHEMBL4769035 0.87 CALCA (0.60) CALCAKDM4EMAPTTP53ALOX15
SCHEMBL4067727 0.87 CALCA (0.65) CALCAKDM4EMAPTTP53ALOX15
SCHEMBL968122 0.86 CALCA (0.64) CALCAKDM4EMAPTTP53ALOX15
SCHEMBL4762094 0.86 CALCA (0.50) CALCAKDM4EMAPTTP53ALOX15
SCHEMBL7258799 0.84 CALCA (0.56) CALCAKDM4ETP53ALOX15L3MBTL1
SCHEMBL4762076 0.84 CALCA (0.52) CALCAKDM4EMAPTTP53ALOX15
SCHEMBL4064836 0.82 CALCA (0.46) CALCAKDM4EMAPTTP53ALOX15

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 26 patents — showing the first 20. 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
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
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors ANTHONY NEVILLE J (US) 2005-08-11 — — US disclosed
US-6924282-B2 Sodium salt of an HIV integrase inhibitor MERCK & CO., INC. (US) 2005-08-02 — — US disclosed
US-20050165000-A1 Pharmaceutical compositions containing an hiv integrase inhibitor and a nonionic surfactant ROBERTSON SANDRA K (US) 2005-07-28 — — US disclosed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 — — US disclosed
EP-1499391-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING AN HIV INTEGRASE INHIBITOR AND A NONIONIC SURFACTANT Merck & Co., Inc. (US) 2005-01-26 — — EP 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
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
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 — — EP disclosed
US-20030119823-A1 Sodium salt of an HIV integrase inhibitor MERCK & CO., INC. 2003-06-26 — — US disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 — — US disclosed
WO-2003016309-A1 PROCESS FOR PREPARING 5-SULFONAMIDO-8-HYDROXY-1, 6-NAPHTHYRIDINE-7-CARBOXAMIDES MERCK & CO., INC. (US) 2003-02-27 — — WO disclosed
WO-2003016315-A1 SODIUM SALT OF AN HIV INTEGRASE INHIBITOR MERCK & CO., INC. (US) 2003-02-27 — — WO disclosed
WO-2003016294-A1 PROCESS FOR PREPARING SULTAMS MERCK & CO., INC. (US) 2003-02-27 — — WO disclosed
WO-2002030931-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 — — WO 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 (5 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 CALCA 3366/4885KDM4E 288/4885MAPT 2944/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA CALCA 3366/4885KDM4E 288/4885MAPT 2944/4885
US-20030119823-A1 Sodium salt of an HIV integrase inhibitor IMPA1, IMPDH1, SLC28A1 CALCA 3125/4885KDM4E 2079/4885MAPT 3182/4885
US-20050176955-A1 N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as hiv integrase inhibitors CDK8, PNP, HINT1 CALCA 3871/4885KDM4E 890/4885MAPT 4345/4885
US-20050165000-A1 Pharmaceutical compositions containing an hiv integrase inhibitor and a nonionic surfactant CDK7, INTS6, POLA1 CALCA 4164/4885KDM4E 1850/4885MAPT 3758/4885

“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.