SCHEMBL2268897

SCHEMBL2268897

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 1/20 0.39
IRAK1 P51617 14/20 0.36
IRAK4 Q9NWZ3 11/20 0.36
ENPP2 Q13822 1/20 0.36
FYN P06241 1/20 0.36
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
MET P08581 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
SCHEMBL2221300 0.91 HSD17B13 (0.38) HSD17B13IRAK1IRAK4ENPP2FYN
SCHEMBL2261414 0.91 HSD17B13 (0.42) HSD17B13IRAK1IRAK4ENPP2FYN
SCHEMBL2221574 0.91 IRAK1 (0.39) HSD17B13IRAK1IRAK4ENPP2FYN
SCHEMBL2269058 0.91 ENPP2 (0.41) HSD17B13IRAK1IRAK4ENPP2FYN
SCHEMBL13275123 0.91 HSD17B13 (0.37) HSD17B13IRAK1IRAK4ENPP2FYN
SCHEMBL12516405 0.90 MET (0.40) HSD17B13IRAK1IRAK4ENPP2FYN
SCHEMBL2276244 0.90 MET (0.40) IRAK1IRAK4FYNMET
SCHEMBL2268987 0.90 HSD17B13 (0.37) HSD17B13IRAK1IRAK4ENPP2FYN
SCHEMBL2221734 0.90 HSD17B13 (0.37) HSD17B13IRAK1IRAK4ENPP2FYN
SCHEMBL2222546 0.90 HSD17B13 (0.36) HSD17B13IRAK1IRAK4ENPP2FYN

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 HSD17B13 3914/4885IRAK1 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.