SCHEMBL6153583

SCHEMBL6153583

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 1/20 0.40
AR P10275 2/20 0.39
KDM1A O60341 3/20 0.37
CDK2 P24941 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DPP4 P27487 1/20 0.37
BTK Q06187 1/20 0.37
HTR2A P28223 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
SRC P12931 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL6153591 1.00 ROCK2 (0.45) ROCK2ROCK1ARKDM1ACDK2
SCHEMBL6153762 0.86 CDK7 (0.41) ARCDK2KDM4EUSP2ALDH1A1
SCHEMBL6153758 0.86 CDK7 (0.41) ARCDK2KDM4EUSP2ALDH1A1
SCHEMBL6505718 0.77 ALDH1A1 (0.45) ARKDM4EUSP2ALDH1A1HTR2A
SCHEMBL1937800 0.76 ROCK2 (0.63) ROCK2ROCK1KDM1ACDK2KDM4E
SCHEMBL1937799 0.76 ROCK2 (0.63) ROCK2ROCK1KDM1ACDK2KDM4E
SCHEMBL6154024 0.75 ROCK2 (0.71) ROCK2ROCK1CDK2BTKCDK9
SCHEMBL6154022 0.75 ROCK2 (0.71) ROCK2ROCK1CDK2BTKCDK9
SCHEMBL4582342 0.73 TUBB4A (0.41) ARCDK2KDM4EALDH1A1
SCHEMBL6153415 0.72 NSD2 (0.40) ARKDM4EUSP2ALDH1A1HTR2A

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 1/4885AR 1667/4885

“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.