SCHEMBL4394304

SCHEMBL4394304

CCN(CC)CCNC(=O)c1ccc(Nc2ncc(-c3ccc(-c4nn[nH]n4)cc3)n3ccnc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 9/20 0.47
MAPKAPK5 Q8IW41 1/20 0.44
XDH P47989 3/20 0.41
IKBKB O14920 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NFKB1 P19838 1/20 0.40
KCNH2 Q12809 1/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
ACHE P22303 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
IGF1R P08069 2/20 0.40
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL4393573 0.94 ALDH1A1 (0.42) TTKMAPKAPK5IKBKBALDH1A1NFKB1
SCHEMBL5576245 0.88 TTK (0.54) TTKMAPKAPK5IKBKBALDH1A1NFKB1
SCHEMBL10169443 0.87 MAPKAPK5 (0.59) TTKMAPKAPK5IKBKBALDH1A1NFKB1
SCHEMBL5571624 0.87 TTK (0.50) TTKMAPKAPK5IKBKBALDH1A1NFKB1
SCHEMBL4394379 0.85 TTK (0.49) TTKMAPKAPK5IKBKBALDH1A1NFKB1
SCHEMBL5575639 0.85 TTK (0.51) TTKMAPKAPK5IKBKBALDH1A1NFKB1
SCHEMBL1674088 0.84 TTK (0.47) TTKMAPKAPK5IKBKBALDH1A1NFKB1
SCHEMBL1674406 0.84 MAPKAPK5 (0.53) TTKMAPKAPK5IKBKBALDH1A1NFKB1
SCHEMBL1674243 0.84 MAPKAPK5 (0.53) TTKMAPKAPK5IKBKBALDH1A1NFKB1
SCHEMBL4399658 0.83 ALDH1A1 (0.43) TTKMAPKAPK5IKBKBALDH1A1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027124-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES Galapagos N.V. (BE) 2009-02-25 EP claimed
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 US claimed
WO-2007131991-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2007-11-22 WO claimed
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-7893058-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 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
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 (2 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 TTK 4173/4885MAPKAPK5 13/4885XDH 1081/4885
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases IKZF3, IRAK2, IRAK1 TTK 4173/4885MAPKAPK5 13/4885XDH 1081/4885

“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.