SCHEMBL2221164

SCHEMBL2221164

Cn1cc(-c2cnc(-c3cccc(Cc4nn(-c5ccc(F)c(F)c5)ccc4=O)c3)nc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.39
MET P08581 8/20 0.37
IRAK4 Q9NWZ3 6/20 0.35
IRAK1 P51617 5/20 0.35
IGF1R P08069 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35

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) METIRAK4IRAK1
SCHEMBL13275092 0.87 GRIN2B (0.39) METGRIN1GRIN2B
SCHEMBL2267731 0.85 HSD17B13 (0.38) METGRIN1GRIN2B
SCHEMBL2221751 0.84 IGF1R (0.40) METIRAK4IRAK1IGF1R
SCHEMBL2223533 0.83 MET (0.40) METIRAK4IRAK1
SCHEMBL13274582 0.83 MET (0.37) METIRAK4IRAK1
SCHEMBL2224345 0.83 MET (0.37) METIRAK4IRAK1
SCHEMBL13274667 0.83 MET (0.36) METGRIN1GRIN2B
SCHEMBL2221300 0.83 HSD17B13 (0.38) METIRAK4IRAK1IGF1RGRIN2B
SCHEMBL2267547 0.82 MET (0.41) METIRAK4IRAK1

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 8 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
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 PIK3CA 219/4885MET 2/4885IRAK4 629/4885

“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.