SCHEMBL4393573

SCHEMBL4393573

CCN(CC)CCNC(=O)c1ccc(Nc2ncc(-c3nn[nH]n3)n3ccnc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
NFKB1 P19838 1/20 0.42
KCNH2 Q12809 1/20 0.42
LMNA P02545 2/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
TSHR P16473 1/20 0.42
ACHE P22303 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 2/20 0.42
POLB P06746 2/20 0.42
ATM Q13315 2/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TTK P33981 1/20 0.42
PMP22 Q01453 1/20 0.41
IGF1R P08069 3/20 0.41
MCHR1 Q99705 3/20 0.41

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
SCHEMBL4394304 0.94 TTK (0.47) ALDH1A1NFKB1KCNH2LMNASLC22A2
SCHEMBL4399658 0.87 ALDH1A1 (0.43) ALDH1A1NFKB1KCNH2LMNASLC22A2
SCHEMBL1674243 0.87 MAPKAPK5 (0.53) ALDH1A1NFKB1KCNH2LMNASLC22A2
SCHEMBL4391774 0.86 IGF1R (0.46) ALDH1A1NFKB1KCNH2LMNASLC22A2
SCHEMBL5571624 0.84 TTK (0.50) ALDH1A1NFKB1KCNH2LMNASLC22A2
SCHEMBL1673963 0.84 ALDH1A1 (0.48) ALDH1A1NFKB1KCNH2LMNASLC22A2
SCHEMBL1674088 0.84 TTK (0.47) ALDH1A1NFKB1KCNH2LMNASLC22A2
SCHEMBL5576245 0.84 TTK (0.54) ALDH1A1NFKB1KCNH2LMNASLC22A2
SCHEMBL5574873 0.84 IGF1R (0.45) ALDH1A1NFKB1KCNH2LMNASLC22A2
SCHEMBL1674406 0.83 MAPKAPK5 (0.53) ALDH1A1NFKB1KCNH2LMNASLC22A2

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 15 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-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-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 (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 ALDH1A1 996/4885NFKB1 128/4885KCNH2 2626/4885
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 ALDH1A1 996/4885NFKB1 128/4885KCNH2 2626/4885
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases IKZF3, IRAK2, IRAK1 ALDH1A1 996/4885NFKB1 128/4885KCNH2 2626/4885

“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.