SCHEMBL14652116

SCHEMBL14652116

CC(C)[C@H]1CC[C@H](NC(=O)C(C)(C)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
ALDH1A1 P00352 1/20 0.37
EPHX1 P07099 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
DRD2 P14416 5/20 0.34
HTR2A P28223 5/20 0.34
DRD3 P35462 5/20 0.34
HCRTR2 O43614 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
BTK Q06187 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL14652022 0.84 PKM (0.42) PKMPDK1PDK2PDK3PDK4
SCHEMBL14652052 0.84 PKM (0.42) PKMPDK1PDK2PDK3PDK4
SCHEMBL14652038 0.81 PKM (0.52) PKMPDK1PDK2PDK3PDK4
SCHEMBL14652109 0.81 PKM (0.40) PKMPDK1PDK2PDK3PDK4
SCHEMBL14652188 0.80 PKM (0.39) PKMPDK1PDK2PDK3PDK4
SCHEMBL14652133 0.80 PKM (0.39) PKMPDK1PDK2PDK3PDK4
SCHEMBL26139042 0.80 PKM (0.39) PKMPDK1PDK2PDK3PDK4
SCHEMBL15906201 0.79 EPHX1 (0.52) PKMPDK1PDK2PDK3PDK4
SCHEMBL14652185 0.78 PKM (0.38) PKMPDK1PDK2PDK3PDK4
SCHEMBL14652078 0.77 HSD11B1 (0.44) DRD2HTR2ADRD3HCRTR2

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
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-8791257-B2 Substituted pyrrolotriazines as protein kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-29 US disclosed
US-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-24 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 (2 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-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 PKM 998/4885PDK1 189/4885PDK2 475/4885
US-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS STK25, MAP3K15, MAP3K5 PKM 445/4885PDK1 89/4885PDK2 102/4885

“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.