SCHEMBL5533378

SCHEMBL5533378

CCN(C)C(=O)c1cc(-c2ccc(CNC(=O)N3CCN(C)CC3)cn2)n(-c2ccc(C)nc2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MLLT1 Q03111 2/20 0.37
KIT P10721 1/20 0.35
JAK1 P23458 1/20 0.35
WDR5 P61964 1/20 0.34
PDK1 Q15118 1/20 0.34
NAMPT P43490 3/20 0.34
P2RY12 Q9H244 3/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.34
HTR2C P28335 1/20 0.33
WNT3A P56704 1/20 0.33
TTK P33981 1/20 0.33
TPSAB1 Q15661 1/20 0.32
MGLL Q99685 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL5525488 0.92 NAMPT (0.40) MEN1KMT2AMLLT1KITPDK1
SCHEMBL5521080 0.90 MLLT1 (0.49) MEN1KMT2AMLLT1KITP2RY12
SCHEMBL5516440 0.90 GLS (0.36) MLLT1KITWDR5NAMPTP2RY12
SCHEMBL5524209 0.88 PIK3CA (0.35) WDR5NAMPT
SCHEMBL5530272 0.87 WDR5 (0.34) WDR5NAMPT
SCHEMBL5525372 0.86 MALT1 (0.35) WDR5NAMPT
SCHEMBL5979134 0.85 NAMPT (0.35) WDR5NAMPT
SCHEMBL14416571 0.85 RPA1 (0.36) WDR5CYP2C9
SCHEMBL5520734 0.84 SMO (0.39) MEN1KMT2ANAMPT
SCHEMBL5525739 0.83 MLLT1 (0.42) MEN1KMT2AMLLT1KITJAK1

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 MEN1 2899/4885KMT2A 2339/4885MLLT1 1463/4885

“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.