SCHEMBL5529669

SCHEMBL5529669

COc1ccc(-c2cc(C(=O)NC(C)(C)C)nn2-c2cccnc2)nn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.50
CNR2 P34972 5/20 0.50
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
MARS1 P56192 3/20 0.40
NFE2L2 Q16236 1/20 0.38
DHODH Q02127 1/20 0.37
NR1I2 O75469 1/20 0.35
RIPK1 Q13546 1/20 0.35
GRM1 Q13255 1/20 0.35
MALT1 Q9UDY8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FYN P06241 1/20 0.34
DYRK1A Q13627 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
SCHEMBL5526588 0.88 CNR1 (0.52) CNR1CNR2SLC16A3SLC16A1MARS1
SCHEMBL4933534 0.87 NFE2L2 (0.41) CNR1CNR2SLC16A3SLC16A1MARS1
SCHEMBL4931612 0.86 MARS1 (0.51) SLC16A3SLC16A1MARS1NFE2L2MEN1
SCHEMBL5522538 0.85 CNR1 (0.49) CNR1CNR2SLC16A3SLC16A1MARS1
SCHEMBL5529584 0.85 CNR1 (0.49) CNR1CNR2SLC16A3SLC16A1MARS1
SCHEMBL5533931 0.83 CNR1 (0.38) CNR1CNR2DHODHMALT1MEN1
SCHEMBL5522031 0.82 CNR1 (0.52) CNR1CNR2SLC16A3SLC16A1MARS1
SCHEMBL5522084 0.82 CNR1 (0.52) CNR1CNR2SLC16A3SLC16A1MARS1
SCHEMBL5529104 0.81 CNR1 (0.51) CNR1CNR2SLC16A3SLC16A1MARS1
SCHEMBL5526269 0.81 CNR1 (0.51) CNR1CNR2MARS1

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 43/4885SLC16A3 4708/4885

“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.