SCHEMBL2222222

SCHEMBL2222222

Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(-c5cnn(C6COC6)c5)cn4)c3)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.37
IRAK1 P51617 11/20 0.37
MET P08581 2/20 0.37
IGF1R P08069 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
AXL P30530 1/20 0.33
MERTK Q12866 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
SCHEMBL2276244 0.89 MET (0.40) IRAK4IRAK1MET
SCHEMBL13274778 0.89 IRAK4 (0.35) IRAK4IRAK1IGF1RBRD4CREBBP
SCHEMBL2267671 0.86 BRD4 (0.33) IRAK4METIGF1RBRD4CREBBP
SCHEMBL13274582 0.85 MET (0.37) IRAK4IRAK1METAXLMERTK
SCHEMBL2224345 0.85 MET (0.37) IRAK4IRAK1MET
SCHEMBL2364945 0.85 FGFR1 (0.39) IRAK4IRAK1METAXLMERTK
SCHEMBL2270005 0.84 MET (0.40) IRAK4IRAK1MET
SCHEMBL12516405 0.84 MET (0.40) IRAK4IRAK1METIGF1R
SCHEMBL2264507 0.83 MET (0.34) IRAK4IRAK1MET
SCHEMBL13275119 0.83 MET (0.44) IRAK4IRAK1MET

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 584/4885MET 2/4885

“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.