SCHEMBL2220291

SCHEMBL2220291

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.36
MET P08581 1/20 0.34
HSD17B13 Q7Z5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
IRAK4 Q9NWZ3 7/20 0.33
IRAK1 P51617 7/20 0.33
CTSV O60911 2/20 0.33
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
FGFR1 P11362 1/20 0.33
FGFR3 P22607 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.32
FYN P06241 1/20 0.32
GPR142 Q7Z601 1/20 0.32
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL2269058 0.88 ENPP2 (0.41) ENPP2METHSD17B13MEN1KMT2A
SCHEMBL2273583 0.88 ENPP2 (0.33) ENPP2METHSD17B13MEN1KMT2A
SCHEMBL13275650 0.86 ENPP2 (0.35) ENPP2METHSD17B13MEN1KMT2A
SCHEMBL2220270 0.86 ENPP2 (0.39) ENPP2METHSD17B13MEN1KMT2A
SCHEMBL2271291 0.85 HSD17B13 (0.38) ENPP2METHSD17B13IRAK4IRAK1
SCHEMBL2273580 0.85 ENPP2 (0.34) ENPP2METHSD17B13IRAK4IRAK1
SCHEMBL2261414 0.85 HSD17B13 (0.42) ENPP2METHSD17B13IRAK4IRAK1
SCHEMBL2266288 0.85 ENPP2 (0.35) ENPP2METHSD17B13MEN1KMT2A
SCHEMBL13275123 0.84 HSD17B13 (0.37) ENPP2METHSD17B13IRAK4IRAK1
SCHEMBL2268897 0.84 HSD17B13 (0.39) ENPP2METHSD17B13IRAK4IRAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO claimed
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 1293/4885MET 2/4885HSD17B13 3914/4885

“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.