SCHEMBL4650273

SCHEMBL4650273

CC1=C(C(=O)OC(C)(C)C)C(c2ccc(O)c(Br)c2)NC(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.60
CREBBP Q92793 1/20 0.57
ALDH1A1 P00352 2/20 0.55
GAA P10253 7/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
TSHR P16473 3/20 0.49
BLM P54132 1/20 0.49
KIF11 P52732 1/20 0.49
MAPK10 P53779 3/20 0.48
HTT P42858 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
GUSB P08236 1/20 0.47

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
SCHEMBL6407139 0.85 GAA (0.73) ADORA2BCREBBPALDH1A1GAAL3MBTL1
SCHEMBL10113455 0.84 ADORA2B (0.67) ADORA2BCREBBPALDH1A1GAAMEN1
SCHEMBL4647914 0.84 ADORA2B (0.60) ADORA2BCREBBPALDH1A1GAAL3MBTL1
SCHEMBL10113437 0.83 ADORA2B (0.61) ADORA2BCREBBPALDH1A1MEN1KMT2A
SCHEMBL15196473 0.81 KIF11 (0.73) ADORA2BCREBBPALDH1A1MEN1KMT2A
SCHEMBL6408711 0.81 GAA (0.76) ADORA2BCREBBPALDH1A1GAAL3MBTL1
SCHEMBL4648521 0.80 ADORA2B (0.55) ADORA2BCREBBPALDH1A1GAAL3MBTL1
SCHEMBL6405100 0.79 GAA (0.73) ADORA2BCREBBPALDH1A1GAAL3MBTL1
SCHEMBL10113452 0.78 HTT (0.66) ADORA2BCREBBPALDH1A1GAAMEN1
SCHEMBL4647187 0.78 CREBBP (0.69) ADORA2BCREBBPALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675834-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-08-27 EP claimed
EP-1675834-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-05 EP claimed
US-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 US claimed
WO-2005037799-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-04-28 WO claimed
US-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 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-20050282838-A1 Compounds, compositions, and methods PCNA, MKI67, TP53 ADORA2B 3513/4885CREBBP 979/4885ALDH1A1 1008/4885

“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.