SCHEMBL4574265

SCHEMBL4574265

Cc1ccc(NCCN)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
HTT P42858 3/20 0.59
HRH3 Q9Y5N1 1/20 0.49
MAPT P10636 7/20 0.46
NPC1 O15118 3/20 0.46
LMNA P02545 3/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
STK17A Q9UEE5 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 3/20 0.44
ALOX15 P16050 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL15757174 0.86 MAPT (0.49) ALDH1A1HTTMAPTNPC1LMNA
SCHEMBL1436944 0.84 ALDH1A1 (0.49) ALDH1A1HTTHRH3MAPTCYP1A2
SCHEMBL21665295 0.83 ALDH1A1 (0.53) ALDH1A1HTTHRH3MAPTNPC1
SCHEMBL11637154 0.82 TUBB4A (0.47) ALDH1A1HTTMAPTNPC1LMNA
SCHEMBL25856355 0.82 IDO1 (0.46) ALDH1A1HTTMAPTCYP1A2CYP3A4
Bromide SCHEMBL7741413 0.81 TUBB4A (0.46) ALDH1A1HTTMAPTNPC1LMNA
SCHEMBL5146815 0.81 ALDH1A1 (0.61) ALDH1A1HTTHRH3MAPTNPC1
SCHEMBL4466255 0.79 ALDH1A1 (0.76) ALDH1A1HTTHRH3MAPTNPC1
SCHEMBL5256643 0.79 ALDH1A1 (0.59) ALDH1A1HTTHRH3MAPTNPC1
SCHEMBL10394666 0.78 ALDH1A1 (0.68) ALDH1A1HTTHRH3MAPTNPC1

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 ALDH1A1 4560/4885HTT 2281/4885HRH3 529/4885

“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.