SCHEMBL6404875

SCHEMBL6404875

CC1=C(C(=O)OC(C)C(C)(C)C)C(c2cc(C)c3[nH]cnc3c2)NC(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.46
GAA P10253 4/20 0.44
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
EIF4H Q15056 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38
GUSB P08236 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6405985 0.85 GAA (0.49) ADORA2BGAAHSD17B10ALDH1A1MAPT
SCHEMBL6409001 0.82 ADORA2B (0.53) ADORA2BGAAHSD17B10ALDH1A1MEN1
SCHEMBL4646692 0.82 GAA (0.50) ADORA2BGAAHSD17B10POLBTSHR
SCHEMBL6407610 0.82 ADORA2B (0.49) ADORA2BGAAHSD17B10ALDH1A1MEN1
SCHEMBL4648748 0.81 USP2 (0.43) GAAHSD17B10ALDH1A1POLBL3MBTL1
SCHEMBL6404869 0.77 GAA (0.56) ADORA2BGAAHSD17B10ALDH1A1KMT2A
SCHEMBL6406084 0.74 RAB9A (0.48) ADORA2BGAAHSD17B10ALDH1A1MEN1
SCHEMBL4649479 0.74 GAA (0.54) ADORA2BGAAHSD17B10ALDH1A1L3MBTL1
SCHEMBL4649301 0.72 GAA (0.70) ADORA2BGAAHSD17B10ALDH1A1MEN1
SCHEMBL4744658 0.72 GAA (0.66) ADORA2BGAAHSD17B10ALDH1A1L3MBTL1

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-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 US 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 3513/4885GAA 349/4885HSD17B10 1067/4885

“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.