SCHEMBL4281573

SCHEMBL4281573

CC(C)OCCCNC(=O)c1n[nH]cc1NC(=O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
KDM4C Q9H3R0 1/20 0.47
GSK3B P49841 1/20 0.46
PAX8 Q06710 1/20 0.46
GRM4 Q14833 1/20 0.46
WNT1 P04628 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
DYRK1A Q13627 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
SCHEMBL4284474 0.96 GRM4 (0.47) L3MBTL1TSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL4279807 0.86 SMN1; SMN2 (0.49) L3MBTL1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4279912 0.86 KMT2A (0.51) L3MBTL1TSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL4279804 0.86 SMN1; SMN2 (0.55) L3MBTL1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4293142 0.86 ALDH1A1 (0.51) L3MBTL1SMN1; SMN2ALDH1A1KMT2AHTT
SCHEMBL4292302 0.86 GSK3B (0.47) L3MBTL1TSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL12882979 0.85 SMN1; SMN2 (0.64) L3MBTL1TSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL4288632 0.84 SMN1; SMN2 (0.48) L3MBTL1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4287623 0.84 SMN1; SMN2 (0.54) L3MBTL1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4279961 0.83 KMT2A (0.51) L3MBTL1SMN1; SMN2ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP L3MBTL1 3482/4885TSHR 2251/4885SMN1; SMN2 4064/4885

“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.