SCHEMBL16701092

SCHEMBL16701092

O=C(Nc1ccccc1)C1CCc2[nH]c3ncnc(Nc4ccc5[nH]c(=O)sc5c4)c3c2C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.47
MKNK1 Q9BUB5 10/20 0.46
ABL1 P00519 1/20 0.41
ABL2 P42684 1/20 0.41
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
ULK1 O75385 1/20 0.38

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
SCHEMBL16707854 1.00 EGFR (0.47) EGFRMKNK1ABL1ABL2GRIN2D
SCHEMBL16701094 1.00 EGFR (0.47) EGFRMKNK1ABL1ABL2GRIN2D
SCHEMBL15534878 0.90 MKNK1 (0.48) EGFRMKNK1ABL1ABL2
SCHEMBL16700387 0.90 MKNK1 (0.48) EGFRMKNK1ABL1ABL2
SCHEMBL16707855 0.90 MKNK1 (0.48) EGFRMKNK1ABL1ABL2
SCHEMBL16708201 0.89 MKNK1 (0.49) EGFRMKNK1ABL1ABL2
SCHEMBL16699985 0.89 MKNK1 (0.49) EGFRMKNK1ABL1ABL2
SCHEMBL16699981 0.89 MKNK1 (0.49) EGFRMKNK1ABL1ABL2
SCHEMBL16700171 0.89 LIMK1 (0.47) EGFRMKNK1GRIN2DGRIN3BGRIN1
SCHEMBL16700172 0.89 LIMK1 (0.47) EGFRMKNK1GRIN2DGRIN3BGRIN1

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 EGFR 1218/4885MKNK1 2315/4885ABL1 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.