SCHEMBL4288832

SCHEMBL4288832

N#CCCNC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1ccc2c(c1)CCO2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.40
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
CD274 Q9NZQ7 1/20 0.37
DPP4 P27487 1/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
KMT2A Q03164 1/20 0.35
PTGER3 P43115 1/20 0.34
MAPK11 Q15759 1/20 0.34
ATM Q13315 1/20 0.34
PIR O00625 1/20 0.34
HSF1 Q00613 1/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL4288766 0.85 CD274 (0.42) CD274RAB9ANPC1KMT2A
SCHEMBL4289272 0.84 CD274 (0.41) CD274RAB9AATM
SCHEMBL4288807 0.83 RORC (0.42)
SCHEMBL4279713 0.83 CREBBP (0.38) CD274RAB9AATM
SCHEMBL4287284 0.83 HPGD (0.42) CD274RAB9ANPC1KMT2A
SCHEMBL4281645 0.83 CD274 (0.41) CD274DPP4RAB9ANPC1KMT2A
SCHEMBL4288476 0.83 KMT2A (0.43) CD274RAB9ANPC1KMT2A
SCHEMBL4285433 0.82 CD274 (0.38) MAPK14CD274RAB9A
SCHEMBL4282950 0.82 HPGD (0.45) RAB9ANPC1KMT2A
SCHEMBL4288246 0.82 RORC (0.40) CD274

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 MAPK14 602/4885TAS1R3 2764/4885TAS1R1 3098/4885

“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.