SCHEMBL4292302

SCHEMBL4292302

Cc1cccc(C(=O)Nc2c[nH]nc2C(=O)NCCCOC(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PAX8 Q06710 1/20 0.44
WNT1 P04628 3/20 0.44
DYRK1A Q13627 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
GRM5 P41594 1/20 0.42
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
P2RX7 Q99572 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NAMPT P43490 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4285745 0.96 GRM5 (0.43) GSK3BKMT2AMEN1ALDH1A1TSHR
SCHEMBL4287245 0.88 GRM5 (0.45) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4281573 0.86 L3MBTL1 (0.49) GSK3BKMT2AMEN1ALDH1A1TSHR
SCHEMBL4283563 0.85 GRM5 (0.47) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4279992 0.84 GRM5 (0.46) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4288777 0.83 GRM5 (0.45) KMT2AMEN1GRM5P2RX7LMNA
SCHEMBL27963733 0.82 TSHR (0.55) GSK3BKMT2AMEN1ALDH1A1TSHR
SCHEMBL4285811 0.82 GRM5 (0.43) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4284474 0.81 GRM4 (0.47) KMT2AALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL15062819 0.81 GSK3B (0.71) GSK3BKMT2AMEN1ALDH1A1TSHR

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US claimed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP claimed
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 GSK3B 1/4885KMT2A 871/4885MEN1 1910/4885

“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.