SCHEMBL2220233

SCHEMBL2220233

Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(OCc5noc(C6CC6)n5)cn4)c3)n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.35
IRAK1 P51617 13/20 0.35
GAA P10253 2/20 0.33
MCHR1 Q99705 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2222276 0.90 GAA (0.36) IRAK4IRAK1GAAPPARGPPARA
SCHEMBL13275266 0.88 GAA (0.35) IRAK4IRAK1GAAPPARGPPARA
SCHEMBL2221907 0.85 ALKBH1 (0.41) PPARGPPARA
SCHEMBL2221516 0.84 MET (0.34) IRAK4IRAK1
SCHEMBL2266318 0.84 USP1 (0.38) IRAK4IRAK1PPARGPPARA
SCHEMBL2220441 0.84 FGFR1 (0.36) IRAK4PPARGPPARA
SCHEMBL2263834 0.83 IRAK1 (0.37) IRAK4IRAK1
SCHEMBL2268753 0.82 MET (0.43) IRAK4IRAK1
SCHEMBL13274653 0.82 IRAK1 (0.39) IRAK4IRAK1
SCHEMBL164227 0.82 BRD4 (0.37) IRAK4IRAK1PPARGPPARA

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 IRAK4 629/4885IRAK1 584/4885GAA 1463/4885

“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.