SCHEMBL4289295

SCHEMBL4289295

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.45
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ABL1 P00519 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
ACKR3 P25106 2/20 0.36
GSK3B P49841 1/20 0.36
OPRK1 P41145 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL4287697 0.91 RORC (0.44) RORCHDAC1HDAC6ABL1
SCHEMBL4284328 0.87 RORC (0.41) RORCACKR3GSK3BOPRK1CD274
SCHEMBL4284569 0.86 RORC (0.41) RORCABL1CD274
SCHEMBL22236075 0.85 HDAC1 (0.45) HDAC1
SCHEMBL4281132 0.85 HTT (0.42) CD274
SCHEMBL4289593 0.84 RORC (0.40) RORCGSK3BCD274
SCHEMBL4288246 0.84 RORC (0.40) RORCGSK3BCD274
SCHEMBL4279917 0.84 GSK3B (0.51) RORCACKR3GSK3BCD274
SCHEMBL4285098 0.81 GRM5 (0.40) ABL1IRAK4
SCHEMBL4283174 0.79 MAPT (0.45) HDAC1HDAC6IRAK4

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 20/4885HDAC1 11/4885HDAC6 87/4885

“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.