SCHEMBL4284557

SCHEMBL4284557

Cc1cccc(C(=O)Nc2cn(C3CCCCO3)nc2C(=O)NCCOC(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
BLM P54132 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RCE1 Q9Y256 1/20 0.39
IRAK4 Q9NWZ3 11/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
FLT3 P36888 1/20 0.38

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
SCHEMBL4284524 0.97 ALDH1A1 (0.43) KDM4EUSP2ALDH1A1GLAPOLB
SCHEMBL4281443 0.89 IRAK4 (0.38) IRAK4FLT3DRD2DRD4GRM5
SCHEMBL4285756 0.88 IRAK4 (0.40) IRAK4FLT3DRD2DRD4GRM5
SCHEMBL4291265 0.88 GRM5 (0.39) MAPTIRAK4FLT3DRD2DRD4
SCHEMBL4287269 0.87 MEN1 (0.41) TSHRIRAK4KMT2AMEN1FLT3
SCHEMBL4288206 0.86 IRAK4 (0.37) IRAK4FLT3ACKR3DRD2DRD4
SCHEMBL4289532 0.86 IRAK4 (0.41) IRAK4FLT3DRD2DRD4GRM5
SCHEMBL4279986 0.86 KMT2A (0.45) KDM4EUSP2ALDH1A1GLAPOLB
SCHEMBL4283524 0.85 IRAK4 (0.40) IRAK4FLT3DRD2DRD4
SCHEMBL5272387 0.84 TSHR (0.40) TSHRIRAK4FLT3ACKR3GRM5

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 KDM4E 810/4885USP2 3632/4885ALDH1A1 694/4885

“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.