SCHEMBL5529097

SCHEMBL5529097

CC(C)(C)NC(=O)c1cc(-c2ccc(N)cn2)n(-c2cccnc2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.51
CNR2 P34972 6/20 0.51
MARS1 P56192 3/20 0.40
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
DYRK1A Q13627 1/20 0.36
RIPK1 Q13546 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
FYN P06241 1/20 0.35
DHODH Q02127 2/20 0.34
ACKR3 P25106 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
P4HTM Q9NXG6 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
SCHEMBL5524849 0.90 CNR1 (0.54) CNR1CNR2MARS1SLC16A3SLC16A1
SCHEMBL5522084 0.89 CNR1 (0.52) CNR1CNR2MARS1SLC16A3SLC16A1
SCHEMBL5522031 0.89 CNR1 (0.52) CNR1CNR2MARS1SLC16A3SLC16A1
SCHEMBL5525578 0.88 CNR1 (0.49) CNR1CNR2MARS1SLC16A3SLC16A1
SCHEMBL5522135 0.88 CNR1 (0.51) CNR1CNR2MARS1SLC16A3SLC16A1
SCHEMBL5529104 0.88 CNR1 (0.51) CNR1CNR2MARS1SLC16A3SLC16A1
SCHEMBL5526269 0.88 CNR1 (0.51) CNR1CNR2MARS1
SCHEMBL5525714 0.87 CNR1 (0.51) CNR1CNR2MARS1SLC16A3SLC16A1
Hydrochloric Acid SCHEMBL5520798 0.87 CNR1 (0.50) CNR1CNR2MARS1SLC16A3SLC16A1
SCHEMBL5526175 0.86 CNR1 (0.54) 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.