SCHEMBL6795337

SCHEMBL6795337

O=c1[nH]ccc2cc(Cl)c(Cl)cc12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.59
MAP2K1 Q02750 2/20 0.51
CDC42 P60953 2/20 0.50
ROCK1 Q13464 2/20 0.50
PKN2 Q16513 2/20 0.50
PARP1 P09874 1/20 0.50
CHEK1 O14757 1/20 0.49

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
SCHEMBL1571812 0.85 CSNK2A1 (0.58) ROCK2MAP2K1CDC42ROCK1PKN2
SCHEMBL1412087 0.85 ROCK2 (0.54) ROCK2MAP2K1CDC42ROCK1PKN2
SCHEMBL12715912 0.85 ROCK2 (0.54) ROCK2MAP2K1CDC42ROCK1PKN2
SCHEMBL4000783 0.85 ROCK2 (0.54) ROCK2MAP2K1CDC42ROCK1PKN2
SCHEMBL12448944 0.85 ROCK2 (0.57) ROCK2MAP2K1CDC42ROCK1PKN2
SCHEMBL20882061 0.82 ROCK2 (0.67) ROCK2CDC42ROCK1PKN2
SCHEMBL20882071 0.82 ROCK2 (0.55) ROCK2MAP2K1CDC42ROCK1PKN2
SCHEMBL1536538 0.81 MAP2K1 (0.56) ROCK2MAP2K1CDC42ROCK1PKN2
SCHEMBL30037800 0.81 ROCK2 (0.50) ROCK2MAP2K1CDC42ROCK1PKN2
SCHEMBL25368500 0.79 ALDH1A1 (0.50) ROCK2MAP2K1CDC42ROCK1PKN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122223-A1 Non-natural nucleotides and dinucleotides CELLTECH R & D LIMITED (GB) 2004-06-24 US disclosed
EP-1368366-A1 NON-NATURAL NUCLEOTIDES AND DINUCLEOTIDES Celltech R & D Limited (GB) 2003-12-10 EP disclosed
WO-2002062816-A1 NON-NATURAL NUCLEOTIDES AND DINUCLEOTIDES CELLTECH R & D LIMITED (GB) 2002-08-15 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-20040122223-A1 Non-natural nucleotides and dinucleotides P2RY1, P2RY11, P2RY13 ROCK2 4486/4885MAP2K1 2217/4885CDC42 1023/4885

“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.