SCHEMBL30486108

SCHEMBL30486108

FC(F)(F)c1cccc(NOc2ccnc3[nH]ccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.61
KDR P35968 3/20 0.61
MAPK14 Q16539 3/20 0.61
TNNI3K Q59H18 3/20 0.61
TTBK1 Q5TCY1 1/20 0.45
AURKA O14965 2/20 0.44
MET P08581 1/20 0.44
PTK6 Q13882 1/20 0.44
RET P07949 1/20 0.42
KIF11 P52732 1/20 0.42
MAP3K7 O43318 1/20 0.41
MAP4K2 Q12851 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CDK8 P49336 2/20 0.41
KIT P10721 1/20 0.41
ROCK2 O75116 1/20 0.40
BTK Q06187 1/20 0.40

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
SCHEMBL6250294 0.80 KDR (0.51) BRAFKDRMAPK14TNNI3KTTBK1
SCHEMBL857777 0.79 PTK6 (0.61) BRAFKDRMAPK14TNNI3KTTBK1
SCHEMBL12518525 0.75 MAP3K7 (0.70) BRAFKDRMAPK14TNNI3KMET
SCHEMBL30692257 0.75 MAP3K7 (0.70) BRAFKDRMAPK14TNNI3KMET
SCHEMBL2283600 0.75 KDR (0.68) BRAFKDRMAPK14TNNI3KMET
SCHEMBL12336390 0.73 BRAF (0.62) BRAFKDRMAPK14TNNI3KTTBK1
SCHEMBL857273 0.73 NUDT1 (0.64) BRAFKDRMAPK14TNNI3KAURKA
SCHEMBL12336529 0.72 BRAF (0.56) BRAFKDRMAPK14TNNI3KTTBK1
SCHEMBL3247348 0.72 AURKA (0.58) BRAFKDRMAPK14TNNI3KAURKA
SCHEMBL4548668 0.72 KDR (0.71) BRAFKDRMAPK14TNNI3KMET

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-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 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-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 BRAF 1615/4885KDR 4751/4885MAPK14 717/4885

“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.