SCHEMBL2437952

SCHEMBL2437952

Nc1cn(-c2ccccc2)nc1NC(=O)c1ccc(Cc2nnc(Cc3ccccc3)o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.42
ADORA3 P0DMS8 9/20 0.42
TTR P02766 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
MIF P14174 1/20 0.39
ADORA1 P30542 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
SCHEMBL2435541 0.92 TNIK (0.46) HDAC1HDAC6HDAC4HDAC2ADORA3
SCHEMBL2433915 0.91 HDAC6 (0.60) HDAC1HDAC6ADORA3HPGDKDM4E
SCHEMBL2439096 0.85 KMT2A (0.45) HDAC1HDAC6ADORA3HPGDKDM4E
SCHEMBL2438219 0.84 HDAC6 (0.48) HDAC1HDAC6HDAC2ADORA3HPGD
SCHEMBL2441079 0.83 HDAC1 (0.47) HDAC1HDAC2ADORA3KDM4ELMNA
SCHEMBL12291241 0.83 HDAC6 (0.48) HDAC1HDAC6HDAC4ADORA3HPGD
SCHEMBL2436301 0.82 HDAC1 (0.48) HDAC1HDAC6HDAC2ADORA3KDM4E
SCHEMBL13985027 0.81 ADORA3 (0.51) HDAC1HDAC2ADORA3HPGDKDM4E
SCHEMBL4453120 0.81 HDAC1 (0.52) HDAC1HDAC6HDAC4HDAC2ADORA3
SCHEMBL5135484 0.79 ADORA3 (0.49) HDAC1HDAC2ADORA3HPGDKDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945617-B1 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK SHARP & DOHME (US) 2012-12-26 EP claimed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 US claimed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 US claimed
EP-1945617-A2 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS Merck & Co., Inc. (US) 2008-07-23 EP claimed
WO-2007055941-A2 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK & CO., INC. (US) 2007-05-18 WO claimed
EP-1945617-B1 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK SHARP & DOHME (US) 2012-12-26 EP disclosed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 US disclosed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 US disclosed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 US disclosed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 US disclosed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 US disclosed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 US disclosed
EP-1945617-A2 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS Merck & Co., Inc. (US) 2008-07-23 EP disclosed
WO-2007055941-A2 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK & CO., INC. (US) 2007-05-18 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-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs HDAC1, HDAC3, HDAC5 HDAC1 1/4885HDAC6 6/4885HDAC4 7/4885

“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.