SCHEMBL2267780

SCHEMBL2267780

CCC(=O)Nc1cnc(-c2cccc(Cc3nn(-c4cnn(C)c4)ccc3=O)c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.38
PARP1 P09874 1/20 0.37
HSD17B13 Q7Z5P4 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
IRAK4 Q9NWZ3 5/20 0.35
IRAK1 P51617 3/20 0.34
ENPP2 Q13822 1/20 0.34
WNT3A P56704 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR142 Q7Z601 1/20 0.34
GAA P10253 1/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL2220270 0.92 ENPP2 (0.39) METHSD17B13SIRT2IRAK4IRAK1
SCHEMBL13274740 0.91 CYP2C19 (0.35) METPARP1SIRT2IRAK4IRAK1
SCHEMBL2221678 0.90 RIPK2 (0.37) METPARP1SIRT2WNT1GSK3B
SCHEMBL2365347 0.89 PARP1 (0.47) METPARP1SIRT2NPC1RAB9A
SCHEMBL13274620 0.88 IRAK4 (0.36) METHSD17B13IRAK4IRAK1
SCHEMBL13275126 0.88 IRAK4 (0.42) PARP1IRAK4IRAK1KMT2A
SCHEMBL13449334 0.87 GSK3B (0.39) METIRAK4IRAK1ENPP2GSK3B
SCHEMBL13274887 0.87 IRAK1 (0.39) IRAK4IRAK1
SCHEMBL2269058 0.87 ENPP2 (0.41) METHSD17B13IRAK4IRAK1ENPP2
SCHEMBL2220437 0.86 IRAK4 (0.37) IRAK4IRAK1

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 4 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

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 2/4885PARP1 2307/4885HSD17B13 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.