SCHEMBL5525656

SCHEMBL5525656

COc1ccc(-n2nc(C(=O)NC(C)(C)C)cc2-c2ccc(N(C)C)cc2)nn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 10/20 0.39
ALOX5 P09917 2/20 0.39
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
RPA1 P27694 2/20 0.35
SMPD1 P17405 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KDM1A O60341 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
SCHEMBL2912938 0.85 RPA1 (0.48) KDM5AKDM4CKDM5BRPA1
SCHEMBL5522378 0.84 MALT1 (0.44) MALT1NFKB1NFKB2RELARPA1
SCHEMBL2921268 0.78 MGLL (0.51) MALT1ALOX5MEN1KMT2AKDM1A
SCHEMBL5532056 0.78 CNR1 (0.42) CNR1CNR2
SCHEMBL5525851 0.78 ALOX5 (0.37) ALOX5CNR1CNR2
SCHEMBL5524868 0.77 MEN1 (0.36) MEN1KMT2ACNR1CNR2
SCHEMBL2910701 0.75 SMN1; SMN2 (0.47) MALT1ALOX5NFKB1NFKB2RELA
SCHEMBL5528505 0.75 JMJD6 (0.35) ALOX5KDM5AKDM4CKDM5BCNR1
SCHEMBL5524898 0.74 SLC16A3 (0.40) MALT1NFKB1NFKB2RELARPA1
SCHEMBL5524892 0.73 CNR1 (0.48) MALT1RPA1MEN1KMT2ACNR1

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 MALT1 3117/4885ALOX5 36/4885NFKB1 3659/4885

“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.