SCHEMBL2105673

SCHEMBL2105673

Cc1cccn2cc(-c3ccc(C[C@@H](CCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.51
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 6/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
GAA P10253 1/20 0.44
HRH3 Q9Y5N1 7/20 0.43
TP53 P04637 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 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
SCHEMBL2617337 1.00 CENPE (0.51) CENPEALDH1A1KDM4EKMT2AMEN1
SCHEMBL3463331 0.93 CENPE (0.51) CENPEALDH1A1KDM4EKMT2AMEN1
SCHEMBL2630528 0.92 CENPE (0.47) CENPEALDH1A1KDM4EKMT2AMEN1
SCHEMBL2105676 0.85 ALDH1A1 (0.48) CENPEALDH1A1KDM4EKMT2AMEN1
SCHEMBL13162723 0.84 ALDH1A1 (0.47) CENPEALDH1A1KDM4EKMT2AMEN1
SCHEMBL13625152 0.80 CENPE (0.50) CENPEALDH1A1KDM4EKMT2AMEN1
SCHEMBL2617327 0.80 CENPE (0.50) CENPEALDH1A1KDM4EKMT2AMEN1
SCHEMBL2617329 0.78 CENPE (0.49) CENPEALDH1A1KDM4EKMT2AMEN1
SCHEMBL13162721 0.77 ALDH1A1 (0.41) CENPEALDH1A1KDM4EKMT2AMEN1
SCHEMBL2105674 0.76 ALDH1A1 (0.46) CENPEALDH1A1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US disclosed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 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 (2 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 CENPE 54/4885ALDH1A1 2159/4885KDM4E 3267/4885
US-20060247289-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.