SCHEMBL2365367

SCHEMBL2365367

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
PDK2 Q15119 1/20 0.36
ALKBH1 Q13686 6/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
IRAK4 Q9NWZ3 3/20 0.35
MET P08581 1/20 0.35
HSD17B13 Q7Z5P4 1/20 0.34
SLC5A1 P13866 1/20 0.34
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR3 P22607 1/20 0.33
IRAK1 P51617 1/20 0.33

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
SCHEMBL13275006 0.91 PDK2 (0.38) ENPP2PPARGPPARAPDK2ALKBH1
SCHEMBL2221907 0.91 ALKBH1 (0.41) PPARGPPARAALKBH1HSD17B13FGFR1
SCHEMBL2268190 0.90 PPARG (0.37) ENPP2PPARGPPARAIRAK4MET
SCHEMBL164227 0.90 BRD4 (0.37) ENPP2PPARGPPARAIRAK4MET
SCHEMBL12516355 0.90 PTPN1 (0.36) ENPP2PPARGPPARAALKBH1IRAK4
SCHEMBL2269058 0.89 ENPP2 (0.41) ENPP2PPARGPPARAIRAK4MET
SCHEMBL255611 0.89 MET (0.41) ENPP2PPARGPPARAALKBH1MET
SCHEMBL13274622 0.88 MET (0.46) ALKBH1MET
SCHEMBL2223152 0.87 PDK2 (0.36) ENPP2PPARGPPARAPDK2IRAK4
SCHEMBL2363122 0.87 MET (0.34) ENPP2PPARGPPARAIRAK4MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US 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 ENPP2 1293/4885PPARG 2354/4885PPARA 3069/4885

“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.