SCHEMBL13626796

SCHEMBL13626796

Cc1cccn2cc(-c3ccc(C[C@@H](CNC(=O)[C@@H](C)CO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.67
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
KIFC1 Q9BW19 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
PKM P14618 1/20 0.38
ALDH1A2 O94788 1/20 0.37
ALDH1A3 P47895 1/20 0.37
POLB P06746 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36

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
SCHEMBL2104148 0.93 CENPE (0.71) CENPEALDH1A1KDM4EKMT2AMAPT
SCHEMBL3461212 0.93 CENPE (0.71) CENPEALDH1A1KDM4EKMT2AMAPT
SCHEMBL13161856 0.93 CENPE (0.71) CENPEALDH1A1KDM4EKMT2AMAPT
SCHEMBL13183951 0.93 CENPE (0.71) CENPEALDH1A1KDM4EKMT2AMAPT
SCHEMBL13161863 0.92 CENPE (0.68) CENPEALDH1A1KDM4EKMT2AMAPT
SCHEMBL3460971 0.92 CENPE (0.68) CENPEALDH1A1KDM4EKMT2AMAPT
SCHEMBL13161626 0.92 CENPE (0.73) CENPEALDH1A1KDM4EKMT2AMAPT
SCHEMBL3462400 0.92 CENPE (0.73) CENPEALDH1A1KDM4EKMT2AMAPT
SCHEMBL2104936 0.92 CENPE (0.71) CENPEALDH1A1KDM4EKMT2AMAPT
SCHEMBL361132 0.89 CENPE (0.67) CENPEALDH1A1KDM4EKMT2AMAPT

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-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 US disclosed
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 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-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885ALDH1A1 2159/4885KDM4E 3267/4885

“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.