SCHEMBL2222601

SCHEMBL2222601

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 1/20 0.36
IRAK4 Q9NWZ3 10/20 0.35
ENPP2 Q13822 1/20 0.35
IRAK1 P51617 10/20 0.34
FYN P06241 1/20 0.34
MET P08581 2/20 0.34
MPO P05164 1/20 0.34
MAP4K4 O95819 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
SCHEMBL13274582 0.93 MET (0.37) HSD17B13IRAK4ENPP2IRAK1FYN
SCHEMBL12516405 0.91 MET (0.40) HSD17B13IRAK4ENPP2IRAK1FYN
SCHEMBL2276244 0.91 MET (0.40) IRAK4IRAK1FYNMET
SCHEMBL2263834 0.91 IRAK1 (0.37) HSD17B13IRAK4IRAK1
SCHEMBL2221300 0.90 HSD17B13 (0.38) HSD17B13IRAK4ENPP2IRAK1FYN
SCHEMBL2261414 0.90 HSD17B13 (0.42) HSD17B13IRAK4ENPP2IRAK1FYN
SCHEMBL2222546 0.90 HSD17B13 (0.36) HSD17B13IRAK4ENPP2IRAK1FYN
SCHEMBL2364545 0.90 MAP4K4 (0.35) HSD17B13IRAK4ENPP2IRAK1FYN
SCHEMBL2269058 0.90 ENPP2 (0.41) HSD17B13IRAK4ENPP2IRAK1FYN
SCHEMBL13275123 0.90 HSD17B13 (0.37) HSD17B13IRAK4ENPP2IRAK1FYN

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 HSD17B13 3914/4885IRAK4 629/4885ENPP2 1293/4885

“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.