SCHEMBL2220857

SCHEMBL2220857

COC(C)c1cnc(-c2cccc(Cc3nn(-c4cnn(C)c4)ccc3=O)c2)nc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.33
IRAK1 P51617 10/20 0.33
IRAK4 Q9NWZ3 10/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
ENPP2 Q13822 1/20 0.32
PDE4B Q07343 2/20 0.32
MET P08581 3/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL2264266 0.91 HSD17B13 (0.37) FYNIRAK1IRAK4HSD17B13ENPP2
SCHEMBL13275160 0.89 FYN (0.34) FYNIRAK1IRAK4HSD17B13ENPP2
SCHEMBL2219418 0.88 IRAK1 (0.36) FYNIRAK1IRAK4HSD17B13ENPP2
SCHEMBL255611 0.88 MET (0.41) HSD17B13ENPP2METPPARGPPARA
SCHEMBL2221760 0.87 FGFR1 (0.34) FYNIRAK1IRAK4HSD17B13ENPP2
SCHEMBL2222715 0.87 FYN (0.36) FYNIRAK1IRAK4HSD17B13ENPP2
SCHEMBL2262998 0.87 HSD17B13 (0.38) FYNIRAK1IRAK4HSD17B13ENPP2
SCHEMBL2276244 0.86 MET (0.40) FYNIRAK1IRAK4MET
SCHEMBL12516405 0.86 MET (0.40) FYNIRAK1IRAK4HSD17B13ENPP2
SCHEMBL2363122 0.86 MET (0.34) FYNIRAK1IRAK4HSD17B13ENPP2

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 FYN 55/4885IRAK1 584/4885IRAK4 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.