SCHEMBL4059916

SCHEMBL4059916

O=C(NCc1cc(Cl)cc(Cl)c1)c1nc(NCCCc2ccccc2)c2cccnc2c1O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALCA P06881 4/20 0.45
EGLN1 Q9GZT9 4/20 0.44
RAB9A P51151 1/20 0.42
KDM4B O94953 1/20 0.42
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
ANO1 Q5XXA6 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
RPS6KB1 P23443 1/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39

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
SCHEMBL4061959 0.88 EGLN1 (0.45) CALCAEGLN1PIK3CDLMNAPOLB
SCHEMBL4069545 0.87 CALCA (0.43) CALCAEGLN1PIK3CDPIK3R1ADAMTS5
SCHEMBL4058568 0.87 EGLN1 (0.44) CALCAEGLN1LMNAPOLBRPS6KB1
SCHEMBL4057969 0.87 EGLN1 (0.44) CALCAEGLN1RAB9ALMNAPOLB
SCHEMBL4064279 0.86 CALCA (0.49) CALCAEGLN1RAB9APIK3CD
SCHEMBL4058271 0.86 EGLN1 (0.42) CALCAEGLN1LMNAPOLBRPS6KB1
SCHEMBL4065476 0.86 EGLN1 (0.42) CALCAEGLN1LMNAPOLBRPS6KB1
SCHEMBL4062533 0.85 EGLN1 (0.45) CALCAEGLN1LMNAPOLB
SCHEMBL4060303 0.84 EGLN1 (0.42) CALCAEGLN1LMNAPOLBRPS6KB1
SCHEMBL4058703 0.84 PIK3CD (0.45) CALCAEGLN1PIK3CD

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 13 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 claimed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 US claimed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP claimed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US claimed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO claimed
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP disclosed
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP 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
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-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 (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 CALCA 3366/4885EGLN1 2027/4885RAB9A 2966/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA CALCA 3366/4885EGLN1 2027/4885RAB9A 2966/4885

“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.