SCHEMBL2223764

SCHEMBL2223764

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.36
IRAK1 P51617 9/20 0.36
HSD17B13 Q7Z5P4 1/20 0.33
ENPP2 Q13822 1/20 0.33
IGF1R P08069 2/20 0.32
AURKA O14965 2/20 0.32
AURKB Q96GD4 2/20 0.32
INCENP Q9NQS7 2/20 0.32
TPX2 Q9ULW0 2/20 0.32
FYN P06241 1/20 0.32
MET P08581 3/20 0.31
SLC2A1 P11166 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
SCHEMBL2265280 0.91 IRAK4 (0.36) IRAK4IRAK1IGF1RMET
SCHEMBL13275650 0.89 ENPP2 (0.35) IRAK4IRAK1HSD17B13ENPP2IGF1R
SCHEMBL2221300 0.88 HSD17B13 (0.38) IRAK4IRAK1HSD17B13ENPP2IGF1R
SCHEMBL2221585 0.88 MET (0.37) IRAK4IRAK1HSD17B13ENPP2IGF1R
SCHEMBL2221123 0.88 AURKA (0.40) IRAK4IRAK1HSD17B13ENPP2IGF1R
SCHEMBL2276244 0.87 MET (0.40) IRAK4IRAK1FYNMET
SCHEMBL12516405 0.87 MET (0.40) IRAK4IRAK1HSD17B13ENPP2IGF1R
SCHEMBL12517647 0.87 RARB (0.36) IRAK4IRAK1HSD17B13ENPP2FYN
SCHEMBL13274582 0.86 MET (0.37) IRAK4IRAK1HSD17B13ENPP2FYN
SCHEMBL2222601 0.86 HSD17B13 (0.36) IRAK4IRAK1HSD17B13ENPP2FYN

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 IRAK4 629/4885IRAK1 584/4885HSD17B13 3914/4885

“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.