SCHEMBL5527685

SCHEMBL5527685

CC(C)(C)NC(=O)c1cc(-c2ccc(C#N)cn2)n(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
RIPK1 Q13546 1/20 0.43
MALT1 Q9UDY8 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CACNA1G O43497 2/20 0.41
CACNA1H O95180 2/20 0.41
RPA1 P27694 2/20 0.40
BCL2 P10415 1/20 0.40
MDM2 Q00987 1/20 0.40
MCL1 Q07820 1/20 0.40
NR3C1 P04150 1/20 0.39
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5519668 0.90 CNR1 (0.49) CNR1CNR2
SCHEMBL5522500 0.87 CNR1 (0.48) CNR1CNR2GRM5
SCHEMBL5523550 0.84 AR (0.40) CNR1CNR2MALT1RPA1NR3C1
SCHEMBL4931924 0.84 RPA1 (0.57) MEN1KMT2ARPA1BCL2MDM2
SCHEMBL5518176 0.82 CNR1 (0.46) CNR1CNR2RIPK1MALT1MEN1
SCHEMBL5522953 0.81 CACNA1G (0.51) CNR1CNR2RIPK1MALT1MEN1
SCHEMBL5526957 0.80 CNR1 (0.52) CNR1CNR2
SCHEMBL4923024 0.79 KMT2A (0.52) MEN1KMT2ABCL2MDM2MCL1
SCHEMBL5525632 0.79 CACNA1G (0.44) CNR1CNR2RIPK1MALT1MEN1
SCHEMBL2531978 0.78 RPA1 (0.65) CNR1CNR2RIPK1MALT1MEN1

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 3 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
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 43/4885RIPK1 3640/4885

“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.