SCHEMBL2364545

SCHEMBL2364545

Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(-c5ccc(N)nc5)cn4)c3)n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.35
MET P08581 5/20 0.34
AXL P30530 2/20 0.34
MERTK Q12866 2/20 0.34
HSD17B13 Q7Z5P4 1/20 0.33
KIT P10721 1/20 0.33
MPO P05164 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.33
ENPP2 Q13822 1/20 0.33
IRAK1 P51617 2/20 0.32
FYN P06241 1/20 0.32
TNIK Q9UKE5 1/20 0.32
MAPK1 P28482 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
SCHEMBL13274582 0.92 MET (0.37) MAP4K4METAXLMERTKHSD17B13
SCHEMBL2276244 0.91 MET (0.40) METIRAK4IRAK1FYN
SCHEMBL2222601 0.90 HSD17B13 (0.36) MAP4K4METHSD17B13MPOIRAK4
SCHEMBL13275119 0.89 MET (0.44) METHSD17B13IRAK4IRAK1
SCHEMBL2224345 0.88 MET (0.37) METHSD17B13IRAK4ENPP2IRAK1
SCHEMBL2264101 0.88 MET (0.35) METHSD17B13IRAK4ENPP2IRAK1
SCHEMBL2270005 0.88 MET (0.40) METHSD17B13IRAK4ENPP2IRAK1
SCHEMBL13274792 0.87 MET (0.36) METHSD17B13IRAK4IRAK1
SCHEMBL12516405 0.87 MET (0.40) METHSD17B13IRAK4ENPP2IRAK1
SCHEMBL2364847 0.86 IRAK1 (0.41) METIRAK4IRAK1

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
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
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

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 MAP4K4 121/4885MET 2/4885AXL 426/4885

“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.