SCHEMBL4281645

SCHEMBL4281645

N#CCCNC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.41
DPP4 P27487 4/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
FGFR1 P11362 1/20 0.36
DDR2 Q16832 1/20 0.36
EPHX2 P34913 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MCHR1 Q99705 2/20 0.35
DGAT1 O75907 1/20 0.34
HDAC1 Q13547 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
CTSS P25774 1/20 0.34
GLP1R P43220 1/20 0.33
GCGR P47871 1/20 0.33
GIPR P48546 1/20 0.33
ABCG2 Q9UNQ0 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
SCHEMBL4285638 0.91 FGFR1 (0.41) KMT2AMEN1POLBFGFR1DDR2
SCHEMBL4288766 0.90 CD274 (0.42) CD274KMT2AMEN1POLBNPC1
SCHEMBL4289272 0.90 CD274 (0.41) CD274POLBRAB9ACTSS
SCHEMBL4288476 0.88 KMT2A (0.43) CD274KMT2AMEN1POLBNPC1
SCHEMBL4285433 0.86 CD274 (0.38) CD274RAB9AHDAC1CTSS
SCHEMBL4288807 0.84 RORC (0.42)
SCHEMBL4287284 0.84 HPGD (0.42) CD274KMT2AMEN1NPC1RAB9A
SCHEMBL4279713 0.84 CREBBP (0.38) CD274POLBFGFR1DDR2RAB9A
SCHEMBL4284325 0.84 CD274 (0.36) CD274
SCHEMBL4288424 0.83 CD274 (0.37) CD274KMT2APOLBNPC1RAB9A

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 2230/4885DPP4 639/4885KMT2A 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.