SCHEMBL16701015

SCHEMBL16701015

CS(=O)(=O)CCCNC(=O)C1CCc2[nH]c3ncnc(Nc4ccc([PH](=O)O)cc4)c3c2C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.61
EGFR P00533 11/20 0.39
ABL1 P00519 1/20 0.32
ABL2 P42684 1/20 0.32
GRM4 Q14833 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL16700518 0.89 MKNK1 (0.60) MKNK1EGFR
SCHEMBL16700519 0.89 MKNK1 (0.60) MKNK1EGFR
SCHEMBL16700232 0.89 MKNK1 (0.60) MKNK1EGFRABL1ABL2GRM4
SCHEMBL16705866 0.89 MKNK1 (0.60) MKNK1EGFRABL1ABL2GRM4
SCHEMBL16700236 0.89 MKNK1 (0.60) MKNK1EGFRABL1ABL2GRM4
SCHEMBL16700687 0.88 MKNK1 (0.69) MKNK1EGFRCYP11B2
SCHEMBL16700689 0.88 MKNK1 (0.69) MKNK1EGFRCYP11B2
SCHEMBL16699853 0.88 MKNK1 (0.59) MKNK1EGFR
SCHEMBL16699856 0.88 MKNK1 (0.59) MKNK1EGFR
SCHEMBL16700045 0.87 MKNK1 (0.58) MKNK1EGFRABL1ABL2GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133426-A1 SUBSTITUTED PYRROLOPYRIMIDINES Bayer Pharma AG (DE) 2015-05-14 US claimed

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.