SCHEMBL4427324

SCHEMBL4427324

NCCNc1ccc(OCC2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.51
PARP15 Q460N3 6/20 0.51
PARP2 Q9UGN5 2/20 0.48
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
CTSK P43235 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 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
SCHEMBL11935678 0.82 PARP15 (0.44) PARP10PARP15PARP2CTSSCTSL
SCHEMBL4413178 0.81 SIRT2 (0.55) PARP10PARP15
SCHEMBL20969564 0.79 PARP15 (0.51) PARP10PARP15PARP2CTSSCTSL
SCHEMBL4573802 0.78 PARP10 (0.62) PARP10PARP15PARP2CTSSCTSL
SCHEMBL7425490 0.78 ALDH1A1 (0.48) PARP10CTSSCTSLCTSK
SCHEMBL20969685 0.78 PARP15 (0.50) PARP10PARP15PARP2CTSSCTSL
SCHEMBL745672 0.74 NFE2L2 (0.66) PARP10PARP15PARP2
Hydrochloric Acid SCHEMBL5242958 0.74 PARP10 (0.56) PARP10PARP15PARP2
SCHEMBL7214458 0.74 PARP10 (0.56) PARP10PARP15PARP2
SCHEMBL17518944 0.74 TDP1 (0.40) PARP10PARP15PARP2

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 7 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-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
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
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 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-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 PARP10 2518/4885PARP15 3226/4885PARP2 3762/4885
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.