SCHEMBL6089366

SCHEMBL6089366

O=C1NCN2CC=Cc3cccc1c32

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.35
PIM1 P11309 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK5 Q00535 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1A Q13627 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
PARP10 Q53GL7 4/20 0.32
PARP11 Q9NR21 4/20 0.32
PDPK1 O15530 1/20 0.32
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL14281828 0.76 GAA (0.30)
SCHEMBL15415712 0.71 CA12 (0.44) PARP1PIM1CSNK1A1CDK5ROCK1
SCHEMBL6228672 0.70
SCHEMBL6176186 0.69 MAPT (0.38) PARP1PIM1CSNK1A1CDK5ROCK1
SCHEMBL11497162 0.68 CES1 (0.46)
SCHEMBL28547192 0.67
SCHEMBL27009803 0.66 CES1 (0.31)
SCHEMBL3927310 0.65 CA12 (0.44) PARP1PIM1CSNK1A1CDK5ROCK1
SCHEMBL9128747 0.65 HTR1A (0.42)
SCHEMBL6852991 0.64 PDE3B (0.36)

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-20060004028-A1 Novel PARP inhibitor MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1582520-A1 NOVEL PARP INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 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-20060004028-A1 Novel PARP inhibitor PARP1, PARP2, PARP11 PARP1 1/4885PIM1 476/4885CSNK1A1 610/4885

“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.