SCHEMBL4289593

SCHEMBL4289593

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.40
CD274 Q9NZQ7 1/20 0.38
KMT2A Q03164 1/20 0.37
GSK3B P49841 1/20 0.37
KDM4E B2RXH2 1/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
DRD3 P35462 2/20 0.36
FGFR1 P11362 1/20 0.35
DDR2 Q16832 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
SCHEMBL4284569 0.92 RORC (0.41) RORCCD274KMT2ADRD2HTR2A
SCHEMBL4284328 0.90 RORC (0.41) RORCCD274GSK3BKDM4EDRD2
SCHEMBL4288246 0.87 RORC (0.40) RORCCD274GSK3BKDM4EDRD2
SCHEMBL4279917 0.86 GSK3B (0.51) RORCCD274KMT2AGSK3BKDM4E
SCHEMBL4289295 0.84 RORC (0.45) RORCCD274GSK3B
SCHEMBL4287697 0.83 RORC (0.44) RORC
SCHEMBL4290861 0.83 MAPT (0.43) CD274KMT2AKDM4E
SCHEMBL4290584 0.78 CD274 (0.39) CD274KMT2A
SCHEMBL4281645 0.77 CD274 (0.41) CD274KMT2AFGFR1DDR2
SCHEMBL4288766 0.77 CD274 (0.42) CD274KMT2A

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 2230/4885KMT2A 871/4885

“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.