SCHEMBL13729327

SCHEMBL13729327

CCC(=CN(C)C)C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 10/20 0.53
CES1 P23141 10/20 0.53
EGFR P00533 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.44
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6969664 0.84 EGFR (0.45) CES2CES1EGFRRAB9ALMNA
SCHEMBL1912788 0.83 CES2 (0.58) CES2CES1EGFRRAB9ALMNA
SCHEMBL649673 0.83 CES2 (0.58) CES2CES1EGFRRAB9ALMNA
SCHEMBL11876720 0.79 CES2 (0.59) CES2CES1EGFRRAB9ALMNA
SCHEMBL11876725 0.79 CES2 (0.59) CES2CES1EGFRRAB9ALMNA
SCHEMBL5216998 0.79 CES2 (0.50) CES2CES1EGFRRAB9ALMNA
SCHEMBL5216994 0.79 CES2 (0.50) CES2CES1EGFRRAB9ALMNA
SCHEMBL9874158 0.79 CYP11B1 (0.54) CES2CES1
SCHEMBL28825861 0.78 CES2 (0.57) CES2CES1EGFRRAB9ALMNA
SCHEMBL10062280 0.78 CES2 (0.57) CES2CES1EGFRRAB9ALMNA

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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 CES2 4641/4885CES1 3519/4885EGFR 428/4885

“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.