SCHEMBL18879040

SCHEMBL18879040

CNc1ncnn2ccc(C)c12

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.57
KDR P35968 2/20 0.57
FLT1 P17948 1/20 0.57
FLT4 P35916 1/20 0.57
IRAK4 Q9NWZ3 1/20 0.55
MAP4K4 O95819 2/20 0.53
AAK1 Q2M2I8 8/20 0.44
ERBB2 P04626 6/20 0.44

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
SCHEMBL18879041 0.78 IRAK4 (0.57) EGFRKDRFLT1FLT4IRAK4
SCHEMBL20272426 0.77 EGFR (0.48) EGFRKDRFLT1FLT4IRAK4
SCHEMBL1219978 0.74 EGFR (0.49) EGFRKDRFLT1FLT4IRAK4
SCHEMBL16204458 0.74 MAP4K4 (0.47) EGFRKDRFLT1FLT4IRAK4
SCHEMBL12537638 0.74 EGFR (0.52) EGFRKDRFLT1FLT4IRAK4
SCHEMBL4044449 0.74 KDR (1.00) EGFRKDRFLT1FLT4AAK1
SCHEMBL4042387 0.72 EGFR (0.70) EGFRKDRFLT1FLT4AAK1
SCHEMBL25791621 0.71 EGFR (0.43) EGFRKDRFLT1FLT4IRAK4
SCHEMBL14537439 0.71 EGFR (0.43) EGFRKDRFLT1FLT4IRAK4
SCHEMBL1220334 0.71 EGFR (0.43) EGFRKDRFLT1FLT4IRAK4

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-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS EFFECTOR THERAPEUTICS, INC. 2017-05-25 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-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS MAP3K9, MAP3K19, MAP3K20 EGFR 560/4885KDR 1046/4885FLT1 2165/4885

“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.