SCHEMBL13274792

SCHEMBL13274792

Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(-c5ccc(C#N)nc5)cn4)c3)n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.36
AOC3 Q16853 1/20 0.36
RET P07949 3/20 0.35
IRAK1 P51617 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
GRIN2B Q13224 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
BRD4 O60885 1/20 0.33
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
EP300 Q09472 4/20 0.32
NQO2 P16083 1/20 0.32
HSD17B13 Q7Z5P4 1/20 0.32

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
SCHEMBL2276244 0.89 MET (0.40) METIRAK1IRAK4
SCHEMBL2364545 0.87 MAP4K4 (0.35) METIRAK1IRAK4HSD17B13
SCHEMBL13275119 0.86 MET (0.44) METIRAK1IRAK4HSD17B13
SCHEMBL2224345 0.86 MET (0.37) METIRAK1IRAK4HSD17B13
SCHEMBL13274582 0.86 MET (0.37) METIRAK1IRAK4HSD17B13
SCHEMBL2264101 0.85 MET (0.35) METIRAK1IRAK4HSD17B13
SCHEMBL2270005 0.85 MET (0.40) METIRAK1IRAK4HSD17B13
SCHEMBL12516405 0.85 MET (0.40) METIRAK1IRAK4HSD17B13
SCHEMBL2364847 0.84 IRAK1 (0.41) METIRAK1IRAK4
SCHEMBL2221734 0.84 HSD17B13 (0.37) METIRAK1IRAK4CTSVCTSL

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 5 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
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 2/4885AOC3 3822/4885RET 4/4885

“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.