SCHEMBL5521080

SCHEMBL5521080

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 2/20 0.49
KIT P10721 1/20 0.40
SMO Q99835 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ENPP2 Q13822 1/20 0.36
TTK P33981 2/20 0.36
NPC1 O15118 1/20 0.35
GFER P55789 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA2B P29275 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
PDE5A O76074 2/20 0.34
PDE6A P16499 2/20 0.34
NTRK1 P04629 2/20 0.34
LMNA P02545 1/20 0.34
P2RY12 Q9H244 1/20 0.34
CSF1R P07333 1/20 0.33
NTRK2 Q16620 1/20 0.33

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
SCHEMBL5525739 0.90 MLLT1 (0.42) MLLT1KITMEN1KMT2ATTK
SCHEMBL5533378 0.90 MEN1 (0.41) MLLT1KITMEN1KMT2ATTK
SCHEMBL5528562 0.87 SMO (0.41) MLLT1SMOENPP2ADORA2ANTRK1
SCHEMBL5525748 0.83 SMO (0.37) MLLT1SMOENPP2NTRK1
SCHEMBL5524300 0.82 CYP11B1 (0.37) MLLT1SMOCSF1R
SCHEMBL5525488 0.82 NAMPT (0.40) MLLT1KITMEN1KMT2ATTK
SCHEMBL5516440 0.81 GLS (0.36) MLLT1KITTTKLMNAP2RY12
SCHEMBL5525538 0.80 OXTR (0.36) SMO
SCHEMBL14416571 0.79 RPA1 (0.36) SMOCSF1R
SCHEMBL5522108 0.78 OXTR (0.39) SMOMEN1KMT2A

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 MLLT1 1463/4885KIT 830/4885SMO 2054/4885

“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.