SCHEMBL14652181

SCHEMBL14652181

CC(C)[C@H]1CC[C@H](NC(=O)C(C)(C)CN2CCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
HCRTR2 O43614 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
SSTR4 P31391 10/20 0.36
MAPK1 P28482 1/20 0.35
PKM P14618 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
SSTR1 P30872 4/20 0.34
RAD52 P43351 1/20 0.33

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
SCHEMBL14652173 0.89 SSTR4 (0.34) ALDH1A1CSNK2A2CSNK2A1HCRTR2SIGMAR1
SCHEMBL14652176 0.88 SMN1; SMN2 (0.39) ALDH1A1HCRTR2SSTR4
SCHEMBL15906236 0.84 ALDH1A1 (0.44) ALDH1A1CSNK2A2CSNK2A1SIGMAR1SSTR4
SCHEMBL14652109 0.79 PKM (0.40) ALDH1A1HCRTR2SSTR4PKMPDK1
SCHEMBL14652133 0.78 PKM (0.39) ALDH1A1HCRTR2SSTR4PKMPDK1
SCHEMBL14652188 0.78 PKM (0.39) ALDH1A1HCRTR2SSTR4PKMPDK1
SCHEMBL14652116 0.77 PKM (0.43) ALDH1A1HCRTR2SIGMAR1PKMPDK1
SCHEMBL14652185 0.77 PKM (0.38) ALDH1A1HCRTR2SSTR4PKMPDK1
SCHEMBL14652177 0.75 PKM (0.37) ALDH1A1HCRTR2SSTR4PKMPDK1
SCHEMBL20227253 0.75 EPHX2 (0.46) ALDH1A1SIGMAR1MAPK1PKMPDK1

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 ALDH1A1 3447/4885CSNK2A2 123/4885CSNK2A1 84/4885

“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.