SCHEMBL2223152

SCHEMBL2223152

Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(OCC(C)(C)O)cn4)c3)n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
IRAK1 P51617 4/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
HSD17B13 Q7Z5P4 1/20 0.34
MET P08581 9/20 0.33
MCHR1 Q99705 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ENPP2 Q13822 1/20 0.33
FYN P06241 1/20 0.33
NQO2 P16083 1/20 0.32

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
SCHEMBL2267269 0.91 MET (0.33) IRAK1IRAK4HSD17B13METPPARG
SCHEMBL2228967 0.90 MCHR1 (0.32) PDK2HSD17B13METMCHR1PPARG
SCHEMBL2268190 0.89 PPARG (0.37) IRAK1IRAK4HSD17B13METPPARG
SCHEMBL164227 0.89 BRD4 (0.37) IRAK1IRAK4HSD17B13METPPARG
SCHEMBL2271291 0.88 HSD17B13 (0.38) IRAK1IRAK4HSD17B13METENPP2
SCHEMBL2221907 0.88 ALKBH1 (0.41) HSD17B13PPARGPPARA
SCHEMBL255611 0.88 MET (0.41) HSD17B13METPPARGPPARAENPP2
SCHEMBL13274880 0.88 IRAK1 (0.33) IRAK1IRAK4HSD17B13METPPARG
SCHEMBL2221344 0.87 IRAK1 (0.40) IRAK1IRAK4HSD17B13METPPARG
SCHEMBL2365367 0.87 ENPP2 (0.37) PDK2IRAK1IRAK4HSD17B13MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO claimed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 PDK2 738/4885IRAK1 584/4885IRAK4 629/4885

“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.