SCHEMBL24358641

SCHEMBL24358641

C#Cc1n[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.51
MAP2K4 P45985 5/20 0.48
MAPK1 P28482 3/20 0.48
MAPK6 Q16659 3/20 0.48
MAPKAPK5 Q8IW41 1/20 0.48
GSK3B P49841 1/20 0.45
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNQ1 P51787 1/20 0.44
SCN5A Q14524 1/20 0.44
KIF11 P52732 7/20 0.42
METAP2 P50579 1/20 0.42
MAPKAPK3 Q16644 2/20 0.42
MAPKAPK2 P49137 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.39

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
SCHEMBL15312372 0.78 MAP2K4 (0.51) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL2662677 0.76 TRPA1 (0.56) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL5637837 0.75 MAP2K4 (0.44) TRPA1MAP2K4GSK3B
SCHEMBL24358756 0.75 PDPK1 (0.58) GSK3BMETAP2
SCHEMBL15312579 0.75 ITK (0.46) MAP2K4MAPK1MAPK6MAPKAPK5KIF11
SCHEMBL13122227 0.75 TRPA1 (0.55) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL30481233 0.75 TRPA1 (0.55) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL25279396 0.75 TRPA1 (0.55) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL30586177 0.75 TRPA1 (0.55) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL1513093 0.75 TRPA1 (0.55) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5

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-20220127254-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2022-04-28 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-20220127254-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER KIT, TNNI3K, CILK1 TRPA1 4655/4885MAP2K4 566/4885MAPK1 405/4885

“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.