SCHEMBL16699856

SCHEMBL16699856

CNS(=O)(=O)c1ccc(Nc2ncnc3[nH]c4c(c23)C[C@@H](C(=O)NCCCS(C)(=O)=O)CC4)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.59
EGFR P00533 6/20 0.39
BRAF P15056 7/20 0.36
TNNI3K Q59H18 7/20 0.36
PIP4K2A P48426 1/20 0.35
TNK2 Q07912 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
PIP4K2C Q8TBX8 1/20 0.33

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
SCHEMBL16699853 1.00 MKNK1 (0.59) MKNK1EGFRBRAFTNNI3KPIP4K2A
SCHEMBL16700519 0.92 MKNK1 (0.60) MKNK1EGFRPIP4K2C
SCHEMBL16700518 0.92 MKNK1 (0.60) MKNK1EGFRPIP4K2C
SCHEMBL16700232 0.89 MKNK1 (0.60) MKNK1EGFRTP53
SCHEMBL16705866 0.89 MKNK1 (0.60) MKNK1EGFRTP53
SCHEMBL16700236 0.89 MKNK1 (0.60) MKNK1EGFRTP53
SCHEMBL16701015 0.88 MKNK1 (0.61) MKNK1EGFR
SCHEMBL16700045 0.87 MKNK1 (0.58) MKNK1EGFR
SCHEMBL16700689 0.86 MKNK1 (0.69) MKNK1EGFR
SCHEMBL16700687 0.86 MKNK1 (0.69) MKNK1EGFR

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 1218/4885BRAF 354/4885

“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.