SCHEMBL19729028

SCHEMBL19729028

N#Cc1cncc(-c2ccc3nccc(Nc4cccc(Cl)c4)c3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 10/20 0.61
FADS1 O60427 1/20 0.55
RAF1 P04049 2/20 0.52
BRAF P15056 2/20 0.52
MAP4K4 O95819 1/20 0.48
CA9 Q16790 1/20 0.47
CD38 P28907 2/20 0.46
KDR P35968 1/20 0.43
GAK O14976 1/20 0.42
RIPK2 O43353 1/20 0.42
COQ8A Q8NI60 1/20 0.42
NLK Q9UBE8 1/20 0.42
TNF P01375 1/20 0.42

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
SCHEMBL19729023 0.84 FADS1 (0.58) MAPKAPK2FADS1RAF1BRAFMAP4K4
SCHEMBL17845921 0.84 CD38 (0.62) FADS1RAF1MAP4K4CD38
SCHEMBL30301803 0.84 CD38 (0.62) FADS1RAF1MAP4K4CD38
SCHEMBL19729033 0.81 MAPKAPK2 (0.61) MAPKAPK2FADS1RAF1BRAFCA9
SCHEMBL19728998 0.79 FADS1 (0.63) MAPKAPK2FADS1RAF1BRAFCA9
SCHEMBL19729029 0.79 FADS1 (0.51) MAPKAPK2FADS1RAF1BRAFCA9
SCHEMBL19729031 0.79 FADS1 (0.51) MAPKAPK2FADS1RAF1BRAFCA9
SCHEMBL19729012 0.78 FADS1 (0.58) MAPKAPK2FADS1RAF1BRAFCA9
SCHEMBL19729026 0.77 FADS1 (0.49) MAPKAPK2FADS1RAF1BRAFCA9
SCHEMBL19729024 0.77 FADS1 (0.49) MAPKAPK2FADS1RAF1BRAFCA9

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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 MAPKAPK2 156/4885FADS1 4047/4885RAF1 73/4885

“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.