SCHEMBL4284524

SCHEMBL4284524

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
BLM P54132 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RCE1 Q9Y256 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.39
IRAK4 Q9NWZ3 8/20 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
SCHEMBL4284557 0.97 KDM4E (0.39) ALDH1A1MAPTTSHRKDM4EUSP2
SCHEMBL4285756 0.90 IRAK4 (0.40) IRAK4FLT3
SCHEMBL4281443 0.87 IRAK4 (0.38) IRAK4FLT3
SCHEMBL4287269 0.85 MEN1 (0.41) TSHRKMT2AMEN1IRAK4FLT3
SCHEMBL4288206 0.85 IRAK4 (0.37) IRAK4FLT3ACKR3
SCHEMBL4289532 0.85 IRAK4 (0.41) IRAK4FLT3
SCHEMBL4291265 0.85 GRM5 (0.39) MAPTIRAK4FLT3L3MBTL1
SCHEMBL4283524 0.83 IRAK4 (0.40) IRAK4FLT3
SCHEMBL4279986 0.83 KMT2A (0.45) ALDH1A1MAPTTSHRKDM4EUSP2
SCHEMBL5272387 0.83 TSHR (0.40) TSHRIRAK4FLT3ACKR3

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 ALDH1A1 694/4885MAPT 868/4885TSHR 2251/4885

“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.