SCHEMBL1146496

SCHEMBL1146496

Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC(=O)NO)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 1.00
HDAC4 P56524 5/20 1.00
HDAC1 Q13547 5/20 1.00
HDAC7 Q8WUI4 5/20 1.00
HDAC2 Q92769 5/20 1.00
HDAC10 Q969S8 5/20 1.00
HDAC11 Q96DB2 5/20 1.00
HDAC8 Q9BY41 5/20 1.00
HDAC6 Q9UBN7 5/20 1.00
HDAC9 Q9UKV0 5/20 1.00
HDAC5 Q9UQL6 5/20 1.00
ABL1 P00519 12/20 0.81
SRC P12931 9/20 0.81
LCK P06239 5/20 0.81
EGFR P00533 3/20 0.81
FYN P06241 3/20 0.81
YES1 P07947 3/20 0.81
LYN P07948 3/20 0.81
HCK P08631 3/20 0.81
KIT P10721 3/20 0.81

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
SCHEMBL1147156 0.93 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1704971 0.92 HDAC3 (0.86) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14416600 0.92 HDAC3 (0.86) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29750253 0.92 HDAC3 (0.86) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL29817345 0.92 HDAC3 (0.85) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13626293 0.91 ABL1 (0.89) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1146489 0.91 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28914780 0.91 ABL1 (0.88) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19362612 0.91 ABL1 (0.85) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1147074 0.91 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169244-B2 Tyrosine kinase inhibitors containing a zinc binding moiety CURIS, INC. (US) 2015-10-27 US disclosed
US-9169244-B2 Tyrosine kinase inhibitors containing a zinc binding moiety CURIS, INC. (US) 2015-10-27 US disclosed
US-20140128410-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2014-05-08 US disclosed
US-8426419-B2 Tyrosine kinase inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-04-23 US disclosed
US-8426419-B2 Tyrosine kinase inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-04-23 US disclosed
US-20110178095-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2011-07-21 US disclosed
US-20110178095-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2011-07-21 US disclosed
US-7888361-B2 anticancer; inhibits both BCR-ABL and histone deacetylase activity; N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-(hydroxyamino)-2-oxoethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide CURIS, INC. (US) 2011-02-15 US disclosed
US-7888361-B2 anticancer; inhibits both BCR-ABL and histone deacetylase activity; N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-(hydroxyamino)-2-oxoethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide CURIS, INC. (US) 2011-02-15 US disclosed
US-7888361-B2 anticancer; inhibits both BCR-ABL and histone deacetylase activity; N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-(hydroxyamino)-2-oxoethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide CURIS, INC. (US) 2011-02-15 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
US-20080125440-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-05-29 US disclosed
US-20080125440-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-05-29 US disclosed
US-20080125440-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-05-29 US disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033746-A2 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033746-A2 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 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 (4 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 HDAC3 7/4885HDAC4 5/4885HDAC1 1/4885
US-20110178095-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY LCK, ABL1, SRC HDAC3 55/4885HDAC4 26/4885HDAC1 5/4885
US-20140128410-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY LCK, ABL1, SRC HDAC3 55/4885HDAC4 26/4885HDAC1 5/4885
US-20080125440-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY LCK, ABL1, SRC HDAC3 55/4885HDAC4 26/4885HDAC1 5/4885

“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.