SCHEMBL4647914

SCHEMBL4647914

CC1=C(C(=O)OC(C)(C)C)C(c2cc(Br)c(N)c(Br)c2)NC(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.60
CREBBP Q92793 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
GAA P10253 3/20 0.52
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
GUSB P08236 1/20 0.44
KIF11 P52732 1/20 0.43
PKM P14618 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
SCHEMBL4648521 0.84 ADORA2B (0.55) ADORA2BCREBBPALDH1A1MEN1KMT2A
SCHEMBL4650273 0.84 ADORA2B (0.60) ADORA2BCREBBPALDH1A1MEN1KMT2A
SCHEMBL6408711 0.83 GAA (0.76) ADORA2BCREBBPALDH1A1MEN1KMT2A
SCHEMBL10113455 0.81 ADORA2B (0.67) ADORA2BCREBBPALDH1A1MEN1KMT2A
SCHEMBL6405100 0.81 GAA (0.73) ADORA2BCREBBPALDH1A1MEN1KMT2A
SCHEMBL10113437 0.80 ADORA2B (0.61) ADORA2BCREBBPALDH1A1MEN1KMT2A
SCHEMBL4649176 0.80 ADORA2B (0.61) ADORA2BCREBBPALDH1A1MEN1KMT2A
SCHEMBL4646857 0.79 CREBBP (0.65) ADORA2BCREBBPALDH1A1MEN1KMT2A
SCHEMBL15196473 0.76 KIF11 (0.73) ADORA2BCREBBPALDH1A1MEN1KMT2A
SCHEMBL6408458 0.76 CREBBP (0.62) ADORA2BCREBBPALDH1A1MEN1KMT2A

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
EP-1675834-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-08-27 EP disclosed
EP-1675834-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-05 EP disclosed
US-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 US disclosed
WO-2005037799-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-04-28 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-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.