SCHEMBL5526416

SCHEMBL5526416

CC(C)(C)NC(=O)c1cc(-c2cnc(NC(=O)OC(C)(C)C)cn2)n(-c2cccnc2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
CNR2 P34972 3/20 0.46
NAMPT P43490 2/20 0.39
MARS1 P56192 3/20 0.37
EPHX2 P34913 2/20 0.35
DHODH Q02127 1/20 0.34
NR1I2 O75469 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
SYK P43405 1/20 0.33
BCL2 P10415 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
SCHEMBL5527649 0.91 CNR1 (0.49) CNR1CNR2NAMPTMARS1EPHX2
SCHEMBL4929836 0.90 MARS1 (0.44) CNR1CNR2NAMPTMARS1EPHX2
SCHEMBL5524902 0.88 NAMPT (0.48) CNR1CNR2NAMPTMARS1EPHX2
SCHEMBL4931448 0.86 KMT2A (0.46) CNR1CNR2NR1I2
SCHEMBL5519559 0.85 CNR1 (0.36) CNR1CNR2NAMPTMARS1EPHX2
SCHEMBL5528493 0.83 CNR1 (0.52) CNR1CNR2MARS1DHODHNR1I2
SCHEMBL4929137 0.83 GPR119 (0.38) CNR1CNR2NAMPTGPR119GSK3B
SCHEMBL5522135 0.82 CNR1 (0.51) CNR1CNR2MARS1DYRK1ASLC16A3
SCHEMBL5522940 0.82 NAMPT (0.47) CNR1CNR2NAMPTMARS1DHODH
SCHEMBL5522031 0.80 CNR1 (0.52) CNR1CNR2MARS1SLC16A3SLC16A1

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-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 CNR1 76/4885CNR2 43/4885NAMPT 2905/4885

“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.