SCHEMBL2222577

SCHEMBL2222577

Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(-c5cn[nH]c5)cn4)c3)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.37
CHEK1 O14757 5/20 0.36
CHEK2 O96017 2/20 0.36
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35
HIPK1 Q86Z02 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
HIPK3 Q9H422 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
MET P08581 4/20 0.35
ROCK2 O75116 5/20 0.35
FLT3 P36888 2/20 0.35
GRM2 Q14416 1/20 0.34

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 0.90 MET (0.40) MET
SCHEMBL13274582 0.88 MET (0.37) MET
SCHEMBL2224345 0.88 MET (0.37) MET
SCHEMBL2364847 0.88 IRAK1 (0.41) MET
SCHEMBL2365099 0.87 MET (0.33) MET
SCHEMBL2270005 0.87 MET (0.40) CLK1CLK2DYRK1AHIPK1HIPK2
SCHEMBL12516405 0.86 MET (0.40) IGF1RMET
SCHEMBL13275119 0.86 MET (0.44) DYRK1AMETFLT3GRM2
SCHEMBL255611 0.86 MET (0.41) CLK1MET
SCHEMBL2222546 0.86 HSD17B13 (0.36) IGF1RMET

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 IGF1R 152/4885CHEK1 400/4885CHEK2 261/4885

“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.