SCHEMBL2361889

SCHEMBL2361889

Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(OCC5CCCO5)cn4)c3)n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 2/20 0.49
IRAK4 Q9NWZ3 2/20 0.47
RIPK2 O43353 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MET P08581 3/20 0.36
NQO2 P16083 1/20 0.36
CHRM1 P11229 2/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
SCD O00767 1/20 0.34
RET P07949 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
SCHEMBL13274874 0.92 IRAK1 (0.42) IRAK1IRAK4RIPK2GPR84GRIN1
SCHEMBL13280503 0.90 IRAK4 (0.38) IRAK1IRAK4GPR84METNQO2
SCHEMBL2268753 0.88 MET (0.43) IRAK1IRAK4METNQO2
SCHEMBL2362911 0.88 IRAK4 (0.37) IRAK1IRAK4RIPK2GPR84GRIN1
SCHEMBL13275328 0.88 MET (0.41) IRAK1IRAK4RIPK2METNQO2
SCHEMBL13275150 0.86 IRAK1 (0.42) IRAK1IRAK4METNQO2FGFR1
SCHEMBL13274944 0.86 IRAK1 (0.39) IRAK1IRAK4CHRM1
SCHEMBL13274508 0.85 CHRM1 (0.47) IRAK1ALDH1A1CHRM1
SCHEMBL13275267 0.85 IRAK1 (0.39) IRAK1IRAK4ALDH1A1CHRM1
SCHEMBL164227 0.85 BRD4 (0.37) IRAK1IRAK4METNQO2FGFR2

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 IRAK1 584/4885IRAK4 629/4885RIPK2 857/4885

“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.