SCHEMBL4573754

SCHEMBL4573754

COc1ccc(NCCN)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 3/20 0.52
STK17B O94768 1/20 0.52
STK17A Q9UEE5 1/20 0.52
BCDIN3D Q7Z5W3 1/20 0.52
MAPT P10636 8/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 3/20 0.50
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
BCL6 P41182 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
GLA P06280 1/20 0.48
ACHE P22303 1/20 0.47

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
Bromide SCHEMBL11012696 0.98 SUV39H2 (0.51) SUV39H2STK17BSTK17ABCDIN3DMAPT
SCHEMBL11935576 0.88 STK17B (0.57) SUV39H2STK17BSTK17AMAPTMEN1
SCHEMBL10845913 0.84 KDM4E (0.51) SUV39H2MAPTMEN1KMT2AGAA
SCHEMBL20714770 0.83 GAA (0.50) STK17BSTK17AMAPTMEN1KMT2A
SCHEMBL7863619 0.81 HTT (0.59) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL5301519 0.81 GAA (0.48) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL11013534 0.79 ALDH1A1 (0.55) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL3056107 0.78 MAPT (0.54) STK17BSTK17AMAPTMEN1KMT2A
SCHEMBL6142613 0.78 ALDH1A1 (0.49) SUV39H2MAPTMEN1KMT2AGAA
Bromide SCHEMBL320987 0.77 ALDH1A1 (0.60) MAPTMEN1KMT2AGAAALDH1A1

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-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

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 SUV39H2 2518/4885STK17B 2986/4885STK17A 2667/4885

“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.