SCHEMBL4158950

SCHEMBL4158950

CC(=O)Nc1c(N(C)C)cn[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
POLB P06746 2/20 0.35
CDK2 P24941 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
TIPARP Q7Z3E1 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
PTK2 Q05397 1/20 0.33
CDK1 P06493 2/20 0.32
AURKB Q96GD4 2/20 0.32
AURKA O14965 1/20 0.32
CCNB1 P14635 1/20 0.32
GAA P10253 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32

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
SCHEMBL4158483 0.77 ROCK2 (0.40) ROCK2ROCK1POLBCDK2KDM4E
SCHEMBL4165192 0.70 BPTF (0.40) POLBALDH1A1MAPTPTK2MAPK1
SCHEMBL4306738 0.68 SLC2A1 (0.35) POLBKDM4EALDH1A1MAPTAURKA
SCHEMBL13375033 0.62 NPC1 (0.41) ROCK2ROCK1POLBCDK2KDM4E
SCHEMBL6156902 0.61 CDK2 (0.49) ROCK2ROCK1POLBCDK2ALDH1A1
SCHEMBL20310148 0.61 ROCK2 (0.44) ROCK2ROCK1CDK2KDM4EALDH1A1
SCHEMBL15656391 0.60 ROCK2 (0.42) ROCK2ROCK1CDK2CCNA2CCNA1
SCHEMBL20558113 0.59
SCHEMBL13787647 0.59 GAA (0.45) POLBKDM4EALDH1A1MAPTTIPARP
SCHEMBL34463731 0.59 CDK2 (0.40) ROCK2ROCK1POLBCDK2KDM4E

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-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-08 US disclosed
US-20070032496-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2007-02-08 US disclosed
WO-2007014226-A2 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATION AND STROKE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-02-01 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 (2 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-20070032496-A1 Compounds for the Treatment of Neurodegeneration and Stroke PARP1, PARP12, PARP11 ROCK2 400/4885ROCK1 495/4885POLB 539/4885
US-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke PARP1, PARP12, PARP11 ROCK2 400/4885ROCK1 495/4885POLB 539/4885

“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.