SCHEMBL5517499

SCHEMBL5517499

COc1ccc(-n2nc(C(=O)NC(C)(C)C)cc2-c2cc[nH]c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 8/20 0.40
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
RPA1 P27694 2/20 0.38
SMPD1 P17405 3/20 0.36
PTK2B Q14289 1/20 0.36
SMO Q99835 1/20 0.35
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK14 Q16539 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 1/20 0.34
ACSS2 Q9NR19 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
SCHEMBL5265892 0.86 RPA1 (0.52) RPA1MEN1KMT2A
SCHEMBL5520925 0.84 CNR1 (0.38) MALT1NFKB1NFKB2RELACNR1
SCHEMBL5531845 0.83 IMPDH2 (0.38) MALT1NFKB1NFKB2RELACNR1
SCHEMBL5522378 0.83 MALT1 (0.44) MALT1NFKB1NFKB2RELARPA1
SCHEMBL5529766 0.83 MALT1 (0.50) MALT1NFKB1NFKB2RELARPA1
SCHEMBL5530168 0.82 CNR1 (0.38) MALT1NFKB1NFKB2RELACNR1
SCHEMBL5267673 0.81 CA9 (0.48) KMT2A
SCHEMBL5524898 0.81 SLC16A3 (0.40) MALT1NFKB1NFKB2RELACNR1
SCHEMBL5524391 0.80 CNR1 (0.38) MALT1CNR1CNR2SMPD1PTK2B
SCHEMBL5526491 0.80 CNR1 (0.39) MALT1NFKB1NFKB2RELACNR1

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 3117/4885NFKB1 3659/4885NFKB2 3902/4885

“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.