SCHEMBL5526588

SCHEMBL5526588

Cc1ccc(-c2cc(C(=O)NC(C)(C)C)nn2-c2cccnc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.52
CNR2 P34972 5/20 0.52
MARS1 P56192 3/20 0.41
RIPK1 Q13546 1/20 0.38
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
GRM1 Q13255 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
NFE2L2 Q16236 1/20 0.35
DYRK1A Q13627 1/20 0.35
NR1I2 O75469 1/20 0.35

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
SCHEMBL5529669 0.88 CNR1 (0.50) CNR1CNR2MARS1RIPK1GRM1
SCHEMBL5528493 0.86 CNR1 (0.52) CNR1CNR2MARS1RIPK1SLC16A3
SCHEMBL5522031 0.86 CNR1 (0.52) CNR1CNR2MARS1RIPK1MAPK13
SCHEMBL4931469 0.85 MARS1 (0.53) CNR1CNR2MARS1GRM1MEN1
SCHEMBL5519765 0.84 CNR1 (0.53) CNR1CNR2MARS1RIPK1SLC16A3
SCHEMBL4926726 0.84 ALDH1A1 (0.41) CNR1CNR2MARS1GRM1TDP1
SCHEMBL5522084 0.84 CNR1 (0.52) CNR1CNR2MARS1RIPK1MAPK13
SCHEMBL5526269 0.83 CNR1 (0.51) CNR1CNR2MARS1
SCHEMBL5529097 0.83 CNR1 (0.51) CNR1CNR2MARS1RIPK1MAPK13
SCHEMBL5529104 0.83 CNR1 (0.51) 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 4 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
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
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 43/4885MARS1 2982/4885

“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.