SCHEMBL25801441

SCHEMBL25801441

CC(C)(C)c1cc(NC(=O)Cc2ccc(O)cc2F)n(-c2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.63
KIT P10721 1/20 0.62
MAPK14 Q16539 6/20 0.57
MAPK13 O15264 5/20 0.57
MAPK12 P53778 5/20 0.57
MAPK11 Q15759 5/20 0.57
NTRK1 P04629 2/20 0.56
HPGD P15428 1/20 0.55
GAA P10253 3/20 0.54
RECQL P46063 1/20 0.54
NTRK2 Q16620 1/20 0.53
NFE2 Q16621 1/20 0.53
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL16859833 0.81 MAPK14 (0.64) JAK2KITMAPK14MAPK13MAPK12
SCHEMBL1011086 0.79 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL21436398 0.78 MAPK14 (0.51) JAK2KITMAPK14MAPK13MAPK12
SCHEMBL1599883 0.78 MAPK14 (0.62) JAK2KITMAPK14MAPK13MAPK12
SCHEMBL16537342 0.77 KIT (1.00) JAK2KITNTRK1HPGDGAA
SCHEMBL1012719 0.77 MAPK13 (0.78) JAK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL1600606 0.77 MAPK14 (0.66) JAK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL1599957 0.77 JAK2 (0.71) JAK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL1599975 0.76 CDK8 (0.58) JAK2KITMAPK14MAPK13MAPK12
SCHEMBL1600918 0.76 MAPK14 (0.68) JAK2MAPK14MAPK13MAPK12MAPK11

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 JAK2 4166/4885KIT 4277/4885MAPK14 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.