SCHEMBL12665477

SCHEMBL12665477

CC(C)NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.73
EPHA2 P29317 1/20 0.65
FLT4 P35916 1/20 0.65
GSK3B P49841 1/20 0.65
RARB P10826 1/20 0.65
TBXAS1 P24557 1/20 0.65
SLC6A3 Q01959 1/20 0.65
LMNA P02545 4/20 0.64
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 3/20 0.64
POLB P06746 2/20 0.64
HPGD P15428 2/20 0.64
HSD17B10 Q99714 2/20 0.64
XBP1 P17861 1/20 0.64
NFKB1 P19838 1/20 0.64
HTT P42858 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
DPP4 P27487 6/20 0.46
CYP2C9 P11712 1/20 0.43

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
SCHEMBL9690516 0.89 KMT2A (0.74) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL27957082 0.87 KMT2A (0.78) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL12665495 0.87 EPHA2 (0.75) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8925689 0.87 KMT2A (0.78) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL3062927 0.87 KMT2A (0.78) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8924281 0.87 KMT2A (0.78) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8924271 0.87 KMT2A (0.78) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL29390525 0.87 KMT2A (0.78) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL16518629 0.86 KMT2A (0.80) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8925828 0.86 KMT2A (0.72) KMT2AEPHA2FLT4GSK3BRARB

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-20110124597-A1 BORON CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-26 US disclosed
US-20110124597-A1 BORON CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-26 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-20110124597-A1 BORON CONTAINING SMALL MOLECULES BCL6B, BCL6, BLVRB KMT2A 2682/4885EPHA2 2156/4885FLT4 2839/4885

“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.