SCHEMBL5224747

SCHEMBL5224747

CC1=C(C(=O)Nc2ccccn2)C(c2ccccc2C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.64
ALDH1A1 P00352 12/20 0.64
CASP1 P29466 3/20 0.64
CASP7 P55210 3/20 0.64
USP2 O75604 1/20 0.64
GSK3B P49841 4/20 0.54
GSK3A P49840 4/20 0.54
HPGD P15428 8/20 0.54
GAA P10253 7/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GLA P06280 2/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5226455 0.88 ALDH1A1 (0.69) KDM4EALDH1A1CASP1CASP7USP2
SCHEMBL5228150 0.87 ALDH1A1 (0.67) KDM4EALDH1A1CASP1CASP7USP2
SCHEMBL5219391 0.82 GSK3B (0.62) KDM4EALDH1A1CASP1CASP7GSK3B
SCHEMBL5196967 0.79 KDM4E (0.70) KDM4EALDH1A1CASP1CASP7USP2
SCHEMBL5199144 0.79 ALDH1A1 (0.56) KDM4EALDH1A1CASP1CASP7USP2
SCHEMBL5198914 0.77 KDM4E (0.68) KDM4EALDH1A1CASP1CASP7USP2
SCHEMBL3321166 0.76 KDM4E (0.69) KDM4EALDH1A1CASP1CASP7GSK3B
SCHEMBL5922607 0.75 KDM4E (0.60) KDM4EALDH1A1CASP1CASP7USP2
SCHEMBL5218420 0.74 NOTCH1 (0.61) KDM4EALDH1A1CASP1CASP7USP2
SCHEMBL5922591 0.73 KDM4E (0.66) KDM4EALDH1A1CASP1CASP7USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116369-A1 Certain compounds, compositions, and methods CYTOKINETICS, INC. 2006-06-01 US claimed
EP-1814554-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-08-08 EP disclosed
US-20060116369-A1 Certain compounds, compositions, and methods CYTOKINETICS, INC. 2006-06-01 US disclosed
WO-2006047537-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2006-05-04 WO 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-20060116369-A1 Certain compounds, compositions, and methods PCNA, MKI67, TP53 KDM4E 4051/4885ALDH1A1 791/4885CASP1 3086/4885

“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.