SCHEMBL25522939

SCHEMBL25522939

O=C(Nc1cc(I)cc(C(F)(F)F)n1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
ADORA2A P29274 4/20 0.46
ADORA1 P30542 4/20 0.46
ADORA3 P0DMS8 3/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
EGFR P00533 1/20 0.40
ERBB4 Q15303 1/20 0.40
ABL1 P00519 5/20 0.40
NPY5R Q15761 1/20 0.39
AURKA O14965 2/20 0.39
LCK P06239 1/20 0.39
IGF1R P08069 1/20 0.39
EIF2AK2 P19525 1/20 0.39
SYK P43405 1/20 0.39
BMX P51813 1/20 0.39
BRAF P15056 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
SCHEMBL19356910 0.77 ADORA2A (0.50) HPGDADORA2AADORA1ADORA3GSK3B
SCHEMBL17491418 0.74 DYRK1A (0.56) ADORA2AADORA1GSK3BABL1
SCHEMBL19356911 0.74 ADORA2A (0.47) HPGDADORA2AADORA1ADORA3GSK3B
SCHEMBL19356945 0.74 HSD17B10 (0.49) HPGDADORA2AADORA1ADORA3MAPT
SCHEMBL25522941 0.73 RHOC (0.51) MAPTEGFRERBB4AURKALCK
SCHEMBL17491465 0.72 RHOA (0.47) HPGDLMNAPOLBEGFRERBB4
SCHEMBL22659338 0.70 ACVRL1 (0.66) MAPTGSK3AGSK3B
SCHEMBL25522867 0.70 HSD17B10 (0.54) HPGDLMNAMAPTMEN1KMT2A
SCHEMBL19873324 0.68 HPGD (0.61) HPGDADORA2AADORA1ADORA3LMNA
SCHEMBL20707809 0.68 NPY5R (0.71) LMNAPOLBABL1NPY5RMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 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-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 HPGD 2642/4885ADORA2A 4249/4885ADORA1 3779/4885

“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.