SCHEMBL5523104

SCHEMBL5523104

Cn1ccc(-c2cc(C(=O)NC(C)(C)C)nn2-c2cccnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.52
CNR2 P34972 5/20 0.52
MARS1 P56192 3/20 0.44
MALT1 Q9UDY8 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
CACNA1G O43497 2/20 0.38
CACNA1H O95180 2/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
RPA1 P27694 1/20 0.37
DYRK1A Q13627 1/20 0.37
RIPK1 Q13546 1/20 0.36
SMPD1 P17405 2/20 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
SCHEMBL4927977 0.85 MARS1 (0.58) MARS1MEN1KMT2ARPA1
SCHEMBL5529778 0.82 CNR1 (0.52) CNR1CNR2MARS1MALT1MEN1
SCHEMBL5523089 0.81 CNR1 (0.53) CNR1CNR2MARS1MALT1MEN1
SCHEMBL5531835 0.81 CNR1 (0.51) CNR1CNR2MARS1MALT1MEN1
SCHEMBL5519765 0.80 CNR1 (0.53) CNR1CNR2MARS1MALT1MEN1
SCHEMBL4930153 0.80 KMT2A (0.53) MARS1MEN1KMT2A
SCHEMBL5529584 0.79 CNR1 (0.49) CNR1CNR2MARS1MALT1MEN1
SCHEMBL4933091 0.78 MGLL (0.57) MEN1KMT2ASMPD1
SCHEMBL5528493 0.78 CNR1 (0.52) CNR1CNR2MARS1MALT1MEN1
SCHEMBL5522031 0.78 CNR1 (0.52) CNR1CNR2MARS1MALT1MEN1

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.