SCHEMBL4573802

SCHEMBL4573802

NC(=O)CNc1ccc(OCC2CCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.62
PARP15 Q460N3 6/20 0.62
PARP2 Q9UGN5 2/20 0.58
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
GPR88 Q9GZN0 1/20 0.45
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
ADAM17 P78536 1/20 0.44
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
FFAR1 O14842 1/20 0.43
GFER P55789 1/20 0.43
CTSK P43235 1/20 0.42

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
SCHEMBL7425479 0.79 PARP10 (0.54) PARP10FFAR1GFER
SCHEMBL4427324 0.78 PARP10 (0.51) PARP10PARP15PARP2FNTAFNTB
SCHEMBL20969564 0.76 PARP15 (0.51) PARP10PARP15PARP2FNTAFNTB
SCHEMBL3423612 0.75 PARP10 (0.58) PARP10PARP15PARP2FNTAFNTB
SCHEMBL22192683 0.74 PARP15 (0.65) PARP10PARP15PARP2FNTAFNTB
SCHEMBL20969685 0.74 PARP15 (0.50) PARP10PARP15PARP2FNTAFNTB
SCHEMBL1670606 0.74 PARP10 (1.00) PARP10PARP15PARP2CDK1CDK2
SCHEMBL28597343 0.74 PARP10 (0.73) PARP10PARP15PARP2FFAR1
SCHEMBL7349192 0.72 PARP10 (0.48) PARP10PARP15PARP2FNTAFNTB
SCHEMBL12420703 0.72 PARP10 (0.73) PARP10PARP15PARP2FFAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 US claimed
WO-2008100622-A2 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 US disclosed
WO-2008100622-A2 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 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 (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-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ PARP10 682/4885PARP15 805/4885PARP2 2137/4885

“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.