SCHEMBL2268753

SCHEMBL2268753

Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(OCC5CC5)cn4)c3)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.43
NQO2 P16083 1/20 0.43
IRAK4 Q9NWZ3 7/20 0.37
IRAK1 P51617 11/20 0.36
DUT P33316 2/20 0.34
BRD4 O60885 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 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
SCHEMBL13275328 0.94 MET (0.41) METNQO2IRAK4IRAK1
SCHEMBL13275150 0.91 IRAK1 (0.42) METNQO2IRAK4IRAK1
SCHEMBL164227 0.90 BRD4 (0.37) METNQO2IRAK4IRAK1BRD4
SCHEMBL2221907 0.89 ALKBH1 (0.41)
SCHEMBL13274724 0.89 MET (0.37) METNQO2IRAK4IRAK1
SCHEMBL255611 0.89 MET (0.41) MET
SCHEMBL2361889 0.88 IRAK1 (0.49) METNQO2IRAK4IRAK1
SCHEMBL2268190 0.88 PPARG (0.37) METIRAK4IRAK1
SCHEMBL2223848 0.88 MET (0.48) METNQO2EDNRBEDNRA
SCHEMBL2363122 0.87 MET (0.34) METNQO2IRAK4IRAK1EDNRB

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 MET 2/4885NQO2 1984/4885IRAK4 629/4885

“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.