SCHEMBL4285433

SCHEMBL4285433

N#CCCNC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1ccoc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.38
CTSS P25774 1/20 0.34
KLKB1 P03952 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TMIGD3 P0DMS9 1/20 0.32
ADORA1 P30542 1/20 0.32
PTK2 Q05397 1/20 0.32
MAPK14 Q16539 2/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR1F P30939 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
ABL1 P00519 1/20 0.30

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
SCHEMBL4289272 0.89 CD274 (0.41) CD274CTSSHPGDSMN1; SMN2RAB9A
SCHEMBL4288766 0.87 CD274 (0.42) CD274HPGDSMN1; SMN2HSD17B10RAB9A
SCHEMBL4281645 0.86 CD274 (0.41) CD274CTSSRAB9AHDAC1
SCHEMBL4288476 0.85 KMT2A (0.43) CD274HPGDSMN1; SMN2RAB9A
SCHEMBL4279964 0.85 TSHR (0.39) CD274HPGDSMN1; SMN2HSD17B10RAB9A
SCHEMBL4288807 0.84 RORC (0.42)
SCHEMBL4287284 0.84 HPGD (0.42) CD274HPGDRAB9A
SCHEMBL4279713 0.84 CREBBP (0.38) CD274HPGDSMN1; SMN2RAB9A
SCHEMBL4288246 0.84 RORC (0.40) CD274
SCHEMBL4288424 0.84 CD274 (0.37) CD274SMN1; SMN2RAB9AABL1

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 CD274 2230/4885CTSS 3974/4885KLKB1 3395/4885

“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.