SCHEMBL16700693

SCHEMBL16700693

CS(=O)(=O)CCCNC(=O)C1CCc2[nH]c3ncnc(Nc4ccc(C(=O)N5CCCC5)cc4)c3c2C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.56
EGFR P00533 7/20 0.39
TBK1 Q9UHD2 1/20 0.39
SYK P43405 1/20 0.36
BTK Q06187 2/20 0.34
LCK P06239 1/20 0.34
JAK3 P52333 1/20 0.34
TNK2 Q07912 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL16700695 1.00 MKNK1 (0.56) MKNK1EGFRTBK1SYKBTK
SCHEMBL16700236 0.90 MKNK1 (0.60) MKNK1EGFRABL1
SCHEMBL16700232 0.90 MKNK1 (0.60) MKNK1EGFRABL1
SCHEMBL16705866 0.90 MKNK1 (0.60) MKNK1EGFRABL1
SCHEMBL16700518 0.86 MKNK1 (0.60) MKNK1EGFRSYK
SCHEMBL16700519 0.86 MKNK1 (0.60) MKNK1EGFRSYK
SCHEMBL16705856 0.85 MKNK1 (0.56) MKNK1EGFRTBK1SYKJAK3
SCHEMBL16701085 0.85 MKNK1 (0.56) MKNK1EGFRTBK1SYKJAK3
SCHEMBL16701084 0.85 MKNK1 (0.56) MKNK1EGFRTBK1SYKJAK3
SCHEMBL16699853 0.85 MKNK1 (0.59) MKNK1EGFRTNK2

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 4 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
US-20150133426-A1 SUBSTITUTED PYRROLOPYRIMIDINES Bayer Pharma AG (DE) 2015-05-14 US disclosed
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 1218/4885TBK1 3629/4885

“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.