SCHEMBL2264274

SCHEMBL2264274

CC(c1cccc(-c2ncc(O)cn2)c1)c1nn(-c2cnn(C)c2)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 1/20 0.37
IRAK4 Q9NWZ3 9/20 0.33
IRAK1 P51617 7/20 0.33
PFKFB3 Q16875 1/20 0.33
MET P08581 1/20 0.32
FYN P06241 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP1 P09874 1/20 0.31
RIPK2 O43353 1/20 0.31
MAPK1 P28482 1/20 0.31
ELANE P08246 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
SCHEMBL13449352 0.91 IRAK4 (0.39) IRAK4IRAK1PFKFB3MET
SCHEMBL12516359 0.91 IRAK4 (0.33) HSD17B13IRAK4IRAK1MET
SCHEMBL12517612 0.89 RXRA (0.35) IRAK4IRAK1PFKFB3MET
SCHEMBL13449355 0.89 HSD17B13 (0.36) HSD17B13IRAK4IRAK1PFKFB3MET
SCHEMBL13449395 0.89 IRAK1 (0.33) IRAK4IRAK1METRIPK2
SCHEMBL13449347 0.88 HSD17B13 (0.36) HSD17B13IRAK4IRAK1METELANE
SCHEMBL13449357 0.88 IRAK4 (0.34) HSD17B13IRAK4IRAK1PFKFB3MET
SCHEMBL2266636 0.88 HSD17B13 (0.36) HSD17B13MEN1KMT2A
SCHEMBL13449442 0.88 MET (0.33) IRAK4IRAK1PFKFB3METMAPK1
SCHEMBL2266777 0.87 MET (0.35) HSD17B13IRAK4IRAK1MET

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 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
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 629/4885IRAK1 584/4885

“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.