SCHEMBL19002241

SCHEMBL19002241

CN1CCCc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.47
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRM5 P08912 2/20 0.41
RORC P51449 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 2/20 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
SCHEMBL18997411 0.84 PDK1 (0.51) PDK1PDK2PDK3PDK4MAPT
SCHEMBL19049346 0.81 HRH3 (0.57) PDK1PDK2PDK3PDK4MAPT
SCHEMBL21901049 0.81 PDK1 (0.49) PDK1PDK2PDK3PDK4MAPT
SCHEMBL2616321 0.81 HSD17B10 (0.60) PDK1PDK2PDK3PDK4MAPT
SCHEMBL20665119 0.80 PDK1 (0.48) PDK1PDK2PDK3PDK4MAPT
SCHEMBL24011118 0.79 LMNA (0.71) PDK1PDK2PDK3PDK4MAPT
SCHEMBL6757671 0.77 PDK1 (0.66) PDK1PDK2PDK3PDK4MAPT
SCHEMBL2616306 0.76 HSD17B10 (0.55) PDK1PDK2PDK3PDK4MAPT
SCHEMBL26763825 0.76 PDK1 (0.61) PDK1PDK2PDK3PDK4MAPT
SCHEMBL6754913 0.75 PDK1 (0.60) PDK1PDK2PDK3PDK4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 PDK1 169/4885PDK2 263/4885PDK3 494/4885

“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.