SCHEMBL5575387

SCHEMBL5575387

Cc1c(C=O)ccc2nccn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.38
ROCK1 Q13464 2/20 0.38
LIMK1 P53667 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
FLT1 P17948 1/20 0.38
CDK9 P50750 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.36
KDR P35968 2/20 0.35
MAP2K1 Q02750 2/20 0.35
DYRK1A Q13627 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
CHEK1 O14757 1/20 0.35
MAP4K4 O95819 1/20 0.35
CSF1R P07333 1/20 0.35
PRKACA P17612 1/20 0.35
ACVR1 Q04771 1/20 0.35
MAP4K2 Q12851 1/20 0.35
AURKB Q96GD4 1/20 0.35
MEN1 O00255 3/20 0.33

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
SCHEMBL19510469 0.82 CDK8 (0.38) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL17174248 0.75 CDK8 (0.47) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL19510460 0.73 CDK8 (0.39) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL5572841 0.72 CDK8 (0.41) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL19510399 0.72 CDK8 (0.41) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL3187668 0.72 CDK8 (0.41) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL27385858 0.72 CDK8 (0.41) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL21816426 0.70 NOTUM (0.41) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL21657679 0.69 CDK8 (0.39) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL17812868 0.69 CDK8 (0.39) CDK8ROCK1LIMK1CLK4FLT1

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
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN claimed
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 CDK8 878/4885ROCK1 1650/4885LIMK1 2582/4885

“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.