SCHEMBL2268190

SCHEMBL2268190

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MET P08581 11/20 0.37
IRAK1 P51617 6/20 0.36
IRAK4 Q9NWZ3 3/20 0.36
HSD17B13 Q7Z5P4 1/20 0.35
ENPP2 Q13822 1/20 0.34

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
SCHEMBL255605 0.92 MET (0.44) PPARGPPARAMET
SCHEMBL164227 0.91 BRD4 (0.37) PPARGPPARAMETIRAK1IRAK4
SCHEMBL2221907 0.90 ALKBH1 (0.41) PPARGPPARAHSD17B13
SCHEMBL255611 0.90 MET (0.41) PPARGPPARAMETHSD17B13ENPP2
SCHEMBL2365367 0.90 ENPP2 (0.37) PPARGPPARAMETIRAK1IRAK4
SCHEMBL2265443 0.90 PPARG (0.36) PPARGPPARAMETHSD17B13
SCHEMBL2221500 0.89 MET (0.36) PPARGPPARAMET
SCHEMBL2268897 0.89 HSD17B13 (0.39) METIRAK1IRAK4HSD17B13ENPP2
SCHEMBL2223152 0.89 PDK2 (0.36) PPARGPPARAMETIRAK1IRAK4
SCHEMBL2363122 0.89 MET (0.34) PPARGPPARAMETIRAK1IRAK4

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 8 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

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 PPARG 2354/4885PPARA 3069/4885MET 2/4885

“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.