SCHEMBL6406084

SCHEMBL6406084

COc1cc(C2NC(=O)NC(C)=C2C(=O)OC(C)C(C)(C)C)cc2cc[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
ADORA2B P29275 5/20 0.48
TSHR P16473 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
GAA P10253 6/20 0.46
HTT P42858 1/20 0.46
CREBBP Q92793 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE1C Q14123 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
SCHEMBL6407610 0.90 ADORA2B (0.49) ALDH1A1ADORA2BHSD17B10GAAL3MBTL1
SCHEMBL4648763 0.83 GAA (0.53) ALDH1A1TSHRHSD17B10ALOX15CASP1
SCHEMBL6406082 0.82 GAA (0.68) RAB9AALDH1A1ADORA2BTSHRHSD17B10
SCHEMBL6404869 0.82 GAA (0.56) RAB9AALDH1A1ADORA2BTSHRHSD17B10
SCHEMBL4649479 0.81 GAA (0.54) RAB9AALDH1A1ADORA2BTSHRHSD17B10
SCHEMBL4744658 0.81 GAA (0.66) RAB9AALDH1A1ADORA2BTSHRHSD17B10
SCHEMBL4649301 0.81 GAA (0.70) RAB9AALDH1A1ADORA2BTSHRHSD17B10
SCHEMBL6404289 0.79 GAA (0.55) RAB9AALDH1A1ADORA2BTSHRHSD17B10
SCHEMBL6405657 0.79 GAA (0.52) RAB9AALDH1A1ADORA2BTSHRHSD17B10
SCHEMBL6409001 0.78 ADORA2B (0.53) ALDH1A1ADORA2BTSHRHSD17B10GAA

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 RAB9A 2240/4885ALDH1A1 1008/4885ADORA2B 3513/4885

“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.