SCHEMBL4279713

SCHEMBL4279713

CC(=O)c1cccc(C(=O)Nc2cn(C3CCCCO3)nc2C(=O)NCCC#N)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 4/20 0.38
CD274 Q9NZQ7 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
ATM Q13315 1/20 0.35
RORC P51449 3/20 0.34
OPRK1 P41145 1/20 0.34
PRKD1 Q15139 1/20 0.34
FGFR1 P11362 1/20 0.34
DDR2 Q16832 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4287284 0.92 HPGD (0.42) CD274HPGDLMNARAB9A
SCHEMBL4282950 0.91 HPGD (0.45) POLBSMN1; SMN2HPGDLMNARAB9A
SCHEMBL4288807 0.90 RORC (0.42) RORC
SCHEMBL4289272 0.90 CD274 (0.41) CD274ATMPOLBSMN1; SMN2HPGD
SCHEMBL4288766 0.87 CD274 (0.42) CD274POLBSMN1; SMN2HPGDLMNA
SCHEMBL4288476 0.85 KMT2A (0.43) CD274OPRK1POLBSMN1; SMN2HPGD
SCHEMBL4285433 0.84 CD274 (0.38) CD274SMN1; SMN2HPGDRAB9A
SCHEMBL4288246 0.84 RORC (0.40) CD274RORC
SCHEMBL4288206 0.84 IRAK4 (0.37) CD274
SCHEMBL4288832 0.83 MAPK14 (0.40) CD274ATMRAB9A

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 CREBBP 1784/4885CD274 2230/4885SMYD3 1232/4885

“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.