SCHEMBL4284328

SCHEMBL4284328

Cc1ccc(C(=O)Nc2cn(C3CCCCO3)nc2C(=O)NCCO)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.41
CD274 Q9NZQ7 1/20 0.40
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE10A Q9Y233 1/20 0.38
GABRA5 P31644 1/20 0.38
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
DRD3 P35462 2/20 0.36
ACKR3 P25106 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP19A1 P11511 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL4288246 0.90 RORC (0.40) RORCCD274GSK3BKDM4EDRD2
SCHEMBL4289593 0.90 RORC (0.40) RORCCD274GSK3BKDM4EDRD2
SCHEMBL4279917 0.89 GSK3B (0.51) RORCCD274GSK3BKDM4EPDE10A
SCHEMBL4284569 0.88 RORC (0.41) RORCCD274GABRA5DRD2HTR2A
SCHEMBL4289295 0.87 RORC (0.45) RORCCD274GSK3BACKR3OPRK1
SCHEMBL4287697 0.86 RORC (0.44) RORCALDH1A1
SCHEMBL4285697 0.81 POLB (0.48) CD274KDM4E
SCHEMBL4288766 0.79 CD274 (0.42) CD274ALDH1A1
SCHEMBL4285756 0.78 IRAK4 (0.40) CD274DRD2HTR2ADRD3
SCHEMBL4293881 0.77 POLB (0.46) HTR2ADRD3ALDH1A1

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 RORC 20/4885CD274 2230/4885GSK3B 1/4885

“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.