SCHEMBL4574249

SCHEMBL4574249

COc1ccc(NCC(N)=O)cn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 1/20 0.56
NNMT P40261 1/20 0.53
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.51
PABPC1 P11940 5/20 0.50
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
PKM P14618 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
SCHEMBL6640610 0.86 KMT2A (0.57) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL6644838 0.86 KMT2A (0.57) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL30366890 0.85 KMT2A (0.57) KMT2AMEN1KDM4EMAPTNNMT
SCHEMBL22773569 0.79 KMT2A (0.65) KMT2AMEN1KDM4EMAPTNNMT
SCHEMBL50309 0.77 KMT2A (0.67) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL8349276 0.76 KMT2A (0.53) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL6132505 0.76 NNMT (0.54) KMT2AMEN1KDM4EMAPTNNMT
SCHEMBL4459452 0.76 KMT2A (0.57) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL4574251 0.76 KMT2A (0.53) KMT2AMEN1KDM4EMAPTNNMT
SCHEMBL2269175 0.75 KMT2A (0.49) KMT2AMEN1KDM4EMAPTNNMT

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 KMT2A 4149/4885MEN1 4873/4885KDM4E 3340/4885

“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.