SCHEMBL212154

SCHEMBL212154

COC(=O)c1ccc(CNc2cccc(-c3cccnc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.64
CLK4 Q9HAZ1 6/20 0.54
DYRK1A Q13627 2/20 0.54
HDAC3 O15379 3/20 0.53
NCOR1 O75376 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
CYP19A1 P11511 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
SRC P12931 1/20 0.49
SLC2A1 P11166 1/20 0.48
CYP3A4 P08684 5/20 0.48
CYP1A2 P05177 4/20 0.48
CYP2D6 P10635 4/20 0.48
CYP2C19 P33261 4/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL209824 0.85 CLK4 (0.74) HDAC1CLK4DYRK1ACYP3A4CYP1A2
SCHEMBL1065202 0.84 HDAC3 (0.74) HDAC1CLK4DYRK1AHDAC3NCOR1
SCHEMBL211587 0.80 ALDH1A1 (0.69) HDAC1HDAC3NCOR1HDAC2HDAC8
SCHEMBL211906 0.78 HDAC1 (1.00) HDAC1HDAC3NCOR1HDAC2HDAC8
SCHEMBL17618077 0.78 RAB9A (0.58) HDAC1LMNAHSD17B10SMN1; SMN2
SCHEMBL15761769 0.78 RAB9A (0.62) USP2ALDH1A1MAPK1HSD17B10SMN1; SMN2
SCHEMBL13188241 0.77 DYRK1A (0.57) CLK4DYRK1AHDAC3NCOR1HDAC2
SCHEMBL16264679 0.75 ALDH1A1 (0.62) HDAC1HDAC8HDAC6CYP3A4CYP1A2
SCHEMBL2345607 0.74 CYP19A1 (0.74) CYP19A1CYP11B1CYP11B2ABL1BCR
SCHEMBL15761765 0.74 CXCR4 (0.66) ALDH1A1TSHRSMN1; SMN2

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-1735319-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2017-05-03 EP disclosed
EP-1735319-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2017-05-03 EP disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885CLK4 2550/4885DYRK1A 3424/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885CLK4 2700/4885DYRK1A 3550/4885

“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.