SCHEMBL2264101

SCHEMBL2264101

Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(-c5ccnnc5)cn4)c3)n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.35
IRAK4 Q9NWZ3 11/20 0.34
IRAK1 P51617 8/20 0.34
HSD17B13 Q7Z5P4 1/20 0.33
ENPP2 Q13822 1/20 0.33
FYN P06241 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
SCHEMBL2270005 0.91 MET (0.40) METIRAK4IRAK1HSD17B13ENPP2
SCHEMBL2276244 0.91 MET (0.40) METIRAK4IRAK1FYN
SCHEMBL13275119 0.90 MET (0.44) METIRAK4IRAK1HSD17B13
SCHEMBL13274582 0.88 MET (0.37) METIRAK4IRAK1HSD17B13ENPP2
SCHEMBL2224345 0.88 MET (0.37) METIRAK4IRAK1HSD17B13ENPP2
SCHEMBL2364545 0.88 MAP4K4 (0.35) METIRAK4IRAK1HSD17B13ENPP2
SCHEMBL12516405 0.87 MET (0.40) METIRAK4IRAK1HSD17B13ENPP2
SCHEMBL2364847 0.86 IRAK1 (0.41) METIRAK4IRAK1
SCHEMBL2221300 0.86 HSD17B13 (0.38) METIRAK4IRAK1HSD17B13ENPP2
SCHEMBL2222601 0.86 HSD17B13 (0.36) METIRAK4IRAK1HSD17B13ENPP2

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 MET 2/4885IRAK4 629/4885IRAK1 584/4885

“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.