SCHEMBL14655006

SCHEMBL14655006

CCC(C)[C@H]1CC[C@H](NC(=O)C2(CN)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.42
L3MBTL1 Q9Y468 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
EPHX1 P07099 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
KDM5A P29375 1/20 0.32
EPHX2 P34913 3/20 0.32
SSTR4 P31391 2/20 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
SCHEMBL14652106 0.87 MME (0.41) MMEL3MBTL1SMYD3CSNK2A2CSNK2A1
SCHEMBL14654962 0.82 L3MBTL1 (0.37) MMEL3MBTL1SMYD3EPHX1LMNA
SCHEMBL14654977 0.81 L3MBTL1 (0.38) MMEL3MBTL1SMYD3EPHX1LMNA
SCHEMBL14654900 0.80 EPHX1 (0.37) MMEL3MBTL1SMYD3EPHX1LMNA
SCHEMBL15906227 0.79 EPHX1 (0.44) MMEEPHX1CSNK2A2CSNK2A1SSTR4
SCHEMBL18431346 0.70 L3MBTL1 (0.39) L3MBTL1SMYD3EPHX1EPHX2
SCHEMBL22388662 0.70 TEAD1 (0.40) L3MBTL1SMYD3EPHX1EPHX2
SCHEMBL18431408 0.70 TEAD1 (0.40) L3MBTL1SMYD3EPHX1EPHX2
SCHEMBL2454699 0.69 SMYD3 (0.40) L3MBTL1SMYD3EPHX1EPHX2
SCHEMBL2456036 0.69 SMYD3 (0.44) SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MME 4725/4885L3MBTL1 4518/4885SMYD3 3232/4885

“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.