SCHEMBL4068615

SCHEMBL4068615

O=C(NCc1ccc(F)cc1)c1ncc2cccnc2c1O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.55
KMT2A Q03164 1/20 0.55
CALCA P06881 1/20 0.55
STAMBP O95630 1/20 0.48
COPS5 Q92905 1/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
RPS6KB1 P23443 1/20 0.46

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
SCHEMBL4066741 0.89 EGLN1 (0.69) EGLN1KMT2ACALCA
SCHEMBL4068327 0.88 EGLN1 (0.71) EGLN1KMT2AKDM4E
SCHEMBL5224738 0.88 EGLN1 (0.57) EGLN1CALCASTAMBPCOPS5
SCHEMBL6490436 0.83 CALCA (0.62) EGLN1KMT2ACALCAL3MBTL1RPS6KB1
SCHEMBL12697382 0.83 EGLN1 (0.79) EGLN1KMT2ARPS6KB1
SCHEMBL14129717 0.83 EGLN1 (0.55) EGLN1KMT2A
SCHEMBL13313527 0.82 ADORA2A (0.47) EGLN1CALCAL3MBTL1
SCHEMBL4060463 0.82 EGLN1 (0.57) EGLN1CALCA
SCHEMBL4060740 0.82 CALCA (0.61) EGLN1KMT2ACALCAL3MBTL1RPS6KB1
SCHEMBL7101920 0.81 CALCA (0.60) EGLN1KMT2ACALCAL3MBTL1RPS6KB1

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
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
US-20050014780-A1 Process for preparing 5-sulfonamido-8-hydroxy-1,6-naphthyridine-7-carboxamides MALIGRES PETER E (US) 2005-01-20 US disclosed
EP-1427726-A1 PROCESS FOR PREPARING 5-SULFONAMIDO-8-HYDROXY-1, 6-NAPHTHYRIDINE-7-CARBOXAMIDES Merck & Co., Inc. (US) 2004-06-16 EP 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-2003016309-A1 PROCESS FOR PREPARING 5-SULFONAMIDO-8-HYDROXY-1, 6-NAPHTHYRIDINE-7-CARBOXAMIDES MERCK & CO., INC. (US) 2003-02-27 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 (3 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 EGLN1 2027/4885KMT2A 61/4885CALCA 3366/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA EGLN1 2027/4885KMT2A 61/4885CALCA 3366/4885
US-20050014780-A1 Process for preparing 5-sulfonamido-8-hydroxy-1,6-naphthyridine-7-carboxamides HNMT, HDHD5, HCLS1 EGLN1 1240/4885KMT2A 396/4885CALCA 1749/4885

“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.