SCHEMBL5227234

SCHEMBL5227234

O=C(NCC1C(=O)Nc2ccccc21)c1ncc2cccnc2c1O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
FEN1 P39748 1/20 0.41
ALDH1A1 P00352 3/20 0.39
IDO1 P14902 6/20 0.39
EGLN1 Q9GZT9 6/20 0.38
TDO2 P48775 3/20 0.38
CCKBR P32239 1/20 0.36
IDE P14735 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL4067984 0.75 MTNR1A (0.43) FEN1EGLN1
SCHEMBL4062961 0.75 CNR1 (0.45) FEN1EGLN1
SCHEMBL4066741 0.72 EGLN1 (0.69) FEN1EGLN1
SCHEMBL5227092 0.72 SMN1; SMN2 (0.51) FEN1ALDH1A1EGLN1KDM4E
SCHEMBL966559 0.71 FEN1 (0.52) FEN1ALDH1A1EGLN1KDM4E
SCHEMBL4058387 0.71 EGLN1 (0.70) FEN1EGLN1
SCHEMBL4064351 0.71 FEN1 (0.53) FEN1ALDH1A1EGLN1
SCHEMBL5778708 0.70 FEN1 (0.53) FEN1ALDH1A1EGLN1
SCHEMBL4069538 0.70 EGLN1 (0.51) FEN1EGLN1
SCHEMBL4057517 0.70 ADORA2A (0.53) FEN1EGLN1KDM4E

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-1326611-B1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-06-13 EP claimed
US-6919351-B2 Aza-and polyaza-naphthalenyl-carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-19 US claimed
EP-1326611-A4 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2004-04-07 EP claimed
US-20040034221-A1 Aza-and polyaza-naphthalenyl-carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2004-02-19 US claimed
EP-1326611-A1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP claimed
WO-2002030426-A1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO claimed
EP-1326611-B1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-06-13 EP disclosed
EP-1326611-B1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-06-13 EP disclosed
US-6919351-B2 Aza-and polyaza-naphthalenyl-carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-19 US disclosed
EP-1326611-A4 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2004-04-07 EP disclosed
US-20040034221-A1 Aza-and polyaza-naphthalenyl-carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2004-02-19 US disclosed
EP-1326611-A1 AZA- AND POLYAZA-NAPHTHALENYL-CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
WO-2002030426-A1 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 (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-20040034221-A1 Aza-and polyaza-naphthalenyl-carboxamides useful as hiv integrase inhibitors POLI, DUT, NAAA GSK3B 1997/4885FEN1 511/4885ALDH1A1 3018/4885

“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.