SCHEMBL10169443

SCHEMBL10169443

CCN(CC)CCNC(=O)c1ccc(Nc2ncc(-c3ccc(C(N)=O)cc3)n3ccnc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 5/20 0.59
TTK P33981 9/20 0.51
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
TSHR P16473 1/20 0.46
ACHE P22303 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 2/20 0.45
PMP22 Q01453 1/20 0.45
IKBKB O14920 1/20 0.44
NFKB1 P19838 1/20 0.44
KCNH2 Q12809 1/20 0.44
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5576245 0.92 TTK (0.54) MAPKAPK5TTKLMNAALDH1A1SLC22A2
SCHEMBL5571624 0.91 TTK (0.50) MAPKAPK5TTKLMNAALDH1A1SLC22A2
SCHEMBL5575639 0.89 TTK (0.51) MAPKAPK5TTKLMNAALDH1A1SLC22A2
SCHEMBL4394379 0.89 TTK (0.49) MAPKAPK5TTKLMNAALDH1A1SLC22A2
SCHEMBL1674088 0.89 TTK (0.47) MAPKAPK5TTKLMNAALDH1A1SLC22A2
SCHEMBL4393653 0.87 MAPKAPK5 (0.64) MAPKAPK5TTK
SCHEMBL5574885 0.87 TTK (0.48) MAPKAPK5TTKLMNAALDH1A1SLC22A2
SCHEMBL4394304 0.87 TTK (0.47) MAPKAPK5TTKLMNAALDH1A1SLC22A2
SCHEMBL4390562 0.87 MAPKAPK5 (0.55) MAPKAPK5TTKALDH1A1MAPK1SMN1; SMN2
SCHEMBL4406103 0.86 FYN (0.50) MAPKAPK5TTKLMNAALDH1A1SLC22A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178530-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-15 US disclosed
US-8178530-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-15 US disclosed
US-8173656-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-08 US disclosed
US-8173656-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-08 US disclosed
US-20110218178-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV 2011-09-08 US disclosed
US-20110218178-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV 2011-09-08 US disclosed
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
US-7893058-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 US disclosed
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 US 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 (3 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-20110218178-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 MAPKAPK5 13/4885TTK 4173/4885LMNA 1882/4885
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 MAPKAPK5 13/4885TTK 4173/4885LMNA 1882/4885
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases IKZF3, IRAK2, IRAK1 MAPKAPK5 13/4885TTK 4173/4885LMNA 1882/4885

“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.