SCHEMBL16699897

SCHEMBL16699897

CS(=O)(=O)CCCNC(=O)C1CCc2[nH]c3ncnc(Nc4ccc5c(c4)C(=O)OC5)c3c2C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.58
EGFR P00533 9/20 0.37
ABL1 P00519 1/20 0.34
ABL2 P42684 1/20 0.34
GRM4 Q14833 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
BRAF P15056 1/20 0.32
TNNI3K Q59H18 1/20 0.32
MAPK14 Q16539 1/20 0.31

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
SCHEMBL16705862 1.00 MKNK1 (0.58) MKNK1EGFRABL1ABL2GRM4
SCHEMBL16699899 1.00 MKNK1 (0.58) MKNK1EGFRABL1ABL2GRM4
SCHEMBL16700806 0.94 MKNK1 (0.58) MKNK1EGFRABL1ABL2GRM4
SCHEMBL16700805 0.94 MKNK1 (0.58) MKNK1EGFRABL1ABL2GRM4
SCHEMBL16705837 0.85 MKNK1 (0.58) MKNK1EGFRABL1ABL2GRM4
SCHEMBL16701116 0.85 MKNK1 (0.58) MKNK1EGFRABL1ABL2GRM4
SCHEMBL16701117 0.85 MKNK1 (0.58) MKNK1EGFRABL1ABL2GRM4
SCHEMBL16700206 0.85 MKNK1 (0.60) MKNK1EGFRGRM4
SCHEMBL16700203 0.85 MKNK1 (0.60) MKNK1EGFRGRM4
SCHEMBL16705873 0.85 MKNK1 (0.60) MKNK1EGFRGRM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133426-A1 SUBSTITUTED PYRROLOPYRIMIDINES Bayer Pharma AG (DE) 2015-05-14 US claimed
US-20150133426-A1 SUBSTITUTED PYRROLOPYRIMIDINES Bayer Pharma AG (DE) 2015-05-14 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-20150133426-A1 SUBSTITUTED PYRROLOPYRIMIDINES DPYD, VEGFA, FLT1 MKNK1 2315/4885EGFR 1218/4885ABL1 515/4885

“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.