SCHEMBL1147083

SCHEMBL1147083

CCOC(=O)CCCCCNCCNc1cc(Nc2ncc(C(=O)N(Cl)c3ccccc3C)s2)nc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.45
ABL1 P00519 6/20 0.40
SIK1 P57059 1/20 0.40
SIK2 Q9H0K1 1/20 0.40
SIK3 Q9Y2K2 1/20 0.40
BCR P11274 4/20 0.40
SRC P12931 3/20 0.40
EGFR P00533 2/20 0.40
FYN P06241 2/20 0.40
YES1 P07947 2/20 0.40
LYN P07948 2/20 0.40
HCK P08631 2/20 0.40
KIT P10721 2/20 0.40
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
ERBB2 P04626 1/20 0.40
FGR P09769 1/20 0.40
JAK3 P52333 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40

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
SCHEMBL1147149 0.90 LCK (0.48) LCKABL1SIK1SIK2SIK3
SCHEMBL1146788 0.90 LCK (0.49) LCKABL1SIK1SIK2SIK3
SCHEMBL1147107 0.88 LCK (0.49) LCKABL1SIK1SIK2SIK3
SCHEMBL1147082 0.82 LCK (0.70) LCKABL1SIK1SIK2SIK3
SCHEMBL1147078 0.81 HDAC1 (0.58) LCKABL1SIK1SIK2SIK3
SCHEMBL1147002 0.81 HDAC1 (0.58) LCKABL1SIK1SIK2SIK3
SCHEMBL1146751 0.80 LCK (0.48) LCKABL1SIK1SIK2SIK3
SCHEMBL1147168 0.80 HDAC1 (0.57) LCKABL1SIK1SIK2SIK3
SCHEMBL1147167 0.76 ABL1 (0.55) LCKABL1SIK1SIK2SIK3
SCHEMBL14067011 0.76 LCK (0.74) LCKABL1SIK1SIK2SIK3

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 12 patents. 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-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-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
EP-2061468-A2 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY Curis, Inc. (US) 2009-05-27 EP disclosed
EP-2061772-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS Curis, Inc. (US) 2009-05-27 EP 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
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-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 LCK 969/4885ABL1 1691/4885SIK1 302/4885
US-20110178095-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY LCK, ABL1, SRC LCK 1/4885ABL1 2/4885SIK1 457/4885
US-20140128410-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY LCK, ABL1, SRC LCK 1/4885ABL1 2/4885SIK1 457/4885
US-20080125440-A1 TYROSINE KINASE INHIBITORS CONTAINING A ZINC BINDING MOIETY LCK, ABL1, SRC LCK 1/4885ABL1 2/4885SIK1 457/4885

“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.