SCHEMBL14652177

SCHEMBL14652177

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.35
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
SSTR4 P31391 9/20 0.33
HCRTR2 O43614 1/20 0.32
TSHR P16473 1/20 0.32
KDM5A P29375 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
EPHX1 P07099 1/20 0.31
SSTR1 P30872 4/20 0.31
SMYD3 Q9H7B4 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL14652190 0.85 PKM (0.33) PKMPDK1PDK2PDK3PDK4
SCHEMBL14652109 0.83 PKM (0.40) PKMALDH1A1PDK1PDK2PDK3
SCHEMBL15906218 0.83 EPHX1 (0.43) PKMALDH1A1PDK1PDK2PDK3
SCHEMBL14652133 0.81 PKM (0.39) PKMALDH1A1PDK1PDK2PDK3
SCHEMBL14652188 0.81 PKM (0.39) PKMALDH1A1PDK1PDK2PDK3
SCHEMBL14652185 0.80 PKM (0.38) PKMALDH1A1PDK1PDK2PDK3
SCHEMBL14652116 0.77 PKM (0.43) PKMALDH1A1PDK1PDK2PDK3
SCHEMBL14652052 0.76 PKM (0.42) PKMALDH1A1PDK1PDK2PDK3
SCHEMBL14652022 0.76 PKM (0.42) PKMALDH1A1PDK1PDK2PDK3
SCHEMBL14652181 0.75 ALDH1A1 (0.41) PKMALDH1A1PDK1PDK2PDK3

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-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 (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-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS STK25, MAP3K15, MAP3K5 PKM 445/4885ALDH1A1 3447/4885PDK1 89/4885

“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.