SCHEMBL6154022

SCHEMBL6154022

COc1cc(N[C@H]2CC[C@H](N)CC2)c(F)cc1C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.71
ROCK1 Q13464 1/20 0.62
KIT P10721 1/20 0.47
FLT3 P36888 1/20 0.47
BTK Q06187 1/20 0.45
MELK Q14680 3/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
EHMT1 Q9H9B1 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
HSP90AA1 P07900 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 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
SCHEMBL6154024 1.00 ROCK2 (0.71) ROCK2ROCK1KITFLT3BTK
SCHEMBL6153878 0.86 ROCK2 (0.52) ROCK2ROCK1KITFLT3BTK
SCHEMBL6153477 0.86 ROCK2 (0.52) ROCK2ROCK1KITFLT3BTK
SCHEMBL6153479 0.86 ROCK2 (0.52) ROCK2ROCK1KITFLT3BTK
SCHEMBL1583647 0.84 ROCK2 (1.00) ROCK2ROCK1KITFLT3MELK
SCHEMBL1583649 0.84 ROCK2 (1.00) ROCK2ROCK1KITFLT3MELK
SCHEMBL6153579 0.78 KIT (0.60) ROCK2ROCK1KITFLT3BTK
SCHEMBL6153345 0.78 KIT (0.60) ROCK2ROCK1KITFLT3BTK
SCHEMBL6153341 0.78 KIT (0.60) ROCK2ROCK1KITFLT3BTK
SCHEMBL1935856 0.77 ROCK2 (1.00) ROCK2ROCK1KITFLT3BTK

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 2/4885ROCK1 1/4885KIT 775/4885

“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.