SCHEMBL6154865

SCHEMBL6154865

NC(=O)c1cc(F)c(NC2CCNCC2)cc1F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.72
RPS6KB1 P23443 2/20 0.43
AURKA O14965 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
ROCK1 Q13464 1/20 0.41
PARP2 Q9UGN5 2/20 0.40
PARP3 Q9Y6F1 2/20 0.40
CHEK1 O14757 2/20 0.39
KCNH2 Q12809 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
PARP1 P09874 1/20 0.38
BTK Q06187 3/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6154956 0.89 ROCK2 (0.58) ROCK2RPS6KB1AURKASIRT2PARP2
SCHEMBL1583647 0.84 ROCK2 (1.00) ROCK2ROCK1CA1CA2CA3
SCHEMBL1583649 0.84 ROCK2 (1.00) ROCK2ROCK1CA1CA2CA3
SCHEMBL6156769 0.80 ROCK2 (0.47) ROCK2RPS6KB1AURKASIRT2PARP1
SCHEMBL6154506 0.80 ROCK2 (0.47) ROCK2RPS6KB1AURKACDK5CDK5R1
SCHEMBL13568745 0.77 ROCK2 (0.64) ROCK2ROCK1CA1CA2CA3
SCHEMBL13568755 0.76 ROCK2 (0.62) ROCK2ROCK1CA1CA2CA3
SCHEMBL377833 0.76 SIRT2 (0.56) ROCK2RPS6KB1AURKASIRT2PARP2
SCHEMBL6454967 0.75 MKNK1 (0.49) ROCK2PARP2PARP3PARP1
SCHEMBL6155009 0.75 RPS6KB1 (0.43) ROCK2RPS6KB1AURKASIRT2CHEK1

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-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 EP 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 ROCK2 2/4885RPS6KB1 1050/4885AURKA 2136/4885

“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.