SCHEMBL1343363

SCHEMBL1343363

[CH2]CC(=O)Nc1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.61
MDM2 Q00987 1/20 0.59
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
LMNA P02545 3/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL9912422 0.81 BCHE (0.63) BCHEMDM2HDAC3HDAC4HDAC1
SCHEMBL10254172 0.79 BCHE (0.72) BCHEMDM2HDAC3HDAC4HDAC1
SCHEMBL9477024 0.79 BCHE (0.61) BCHEMDM2HDAC3HDAC4HDAC1
SCHEMBL334233 0.79 BCHE (0.61) BCHEMDM2HDAC3HDAC4HDAC1
SCHEMBL8286810 0.79 BCHE (0.61) BCHEMDM2HDAC3HDAC4HDAC1
SCHEMBL2133754 0.79 BCHE (0.61) BCHEMDM2HDAC3HDAC4HDAC1
SCHEMBL1046146 0.78 EPHX2 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL21296615 0.78 BCHE (0.59) BCHEMDM2HDAC3HDAC4HDAC1
Lithium Ion SCHEMBL306751 0.78 BCHE (0.59) BCHEMDM2HDAC3HDAC4HDAC1
SCHEMBL13824324 0.78 BCHE (0.59) BCHEMDM2HDAC3HDAC4HDAC1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US claimed
EP-2013182-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2009-01-14 EP claimed
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US claimed
WO-2007106537-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2007-09-20 WO claimed
US-6369247-B1 OXIDATION WITH HYDROPEROXIDE IN THE PRESENCE OF RUTHENIUM CATALYST MERCK & CO., INC. 2002-04-09 US claimed
EP-0759929-B1 OXIDATION OF STEROIDS HAVING ALLYLIC GROUPS MERCK & CO INC (US) 2000-08-23 EP claimed
EP-0858455-A4 4-OXA AND 4-THIA STEROIDS MERCK & CO INC (US) 2000-04-12 EP claimed
US-5998464-A 4-Oxa and 4-thia steroids MERCK & CO., INC. (US) 1999-12-07 US claimed
US-5817802-A IN IONIZING MEDIUM WITH A TRIALKYLSILANE MERCK & CO., INC. (US) 1998-10-06 US claimed
EP-0759929-A4 OXIDATION OF STEROIDS HAVING ALLYLIC GROUPS MERCK & CO INC (US) 1998-09-30 EP claimed
EP-0858455-A1 4-OXA AND 4-THIA STEROIDS Merck & Co., Inc. (US) 1998-08-19 EP claimed
WO-1997015564-A1 4-OXA AND 4-THIA STEROIDS MERCK & CO., INC. (US) 1997-05-01 WO claimed
EP-0759929-A1 OXIDATION OF STEROIDS HAVING ALLYLIC GROUPS Merck & Co., Inc. (a New Jersey corp.) (US) 1997-03-05 EP claimed
WO-1996007643-A1 PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS MERCK & CO., INC. (US) 1996-03-14 WO claimed
WO-1995032215-A1 OXIDATION OF STEROIDS HAVING ALLYLIC GROUPS MERCK & CO., INC. (US) 1995-11-30 WO claimed
EP-2013182-B1 AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-09-04 EP disclosed
EP-2383271-B1 Aminoquinolones as GSK-3 Inhibitors KYORIN SEIYAKU KK (JP) 2013-07-10 EP disclosed
EP-0759929-A1 OXIDATION OF STEROIDS HAVING ALLYLIC GROUPS Merck & Co., Inc. (a New Jersey corp.) (US) 1997-03-05 EP disclosed
WO-1996007643-A1 PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS MERCK & CO., INC. (US) 1996-03-14 WO disclosed
WO-1995032215-A1 OXIDATION OF STEROIDS HAVING ALLYLIC GROUPS MERCK & CO., INC. (US) 1995-11-30 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-20070254866-A1 Aminoquinolones as GSK-3 inhibitors GSK3B, GSK3A, GSKIP BCHE 1537/4885MDM2 234/4885HDAC3 68/4885

“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.