SCHEMBL2068673

SCHEMBL2068673

C[C@@H]1CN(c2ccc(Nc3ncc(-c4cc(F)c(C(N)=O)c(F)c4)n4ccnc34)cc2)[C@@H](C)CN1C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 13/20 0.54
FYN P06241 1/20 0.41
TTK P33981 2/20 0.40
AURKA O14965 1/20 0.37
PTK6 Q13882 1/20 0.35
SYK P43405 2/20 0.34
ZAP70 P43403 1/20 0.34

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
SCHEMBL2068164 0.87 MAPKAPK5 (0.65) MAPKAPK5FYNTTK
SCHEMBL2069830 0.85 MAPKAPK5 (0.67) MAPKAPK5FYNTTKAURKA
SCHEMBL2070004 0.83 MAPKAPK5 (0.67) MAPKAPK5FYN
SCHEMBL2070127 0.82 MAPKAPK5 (0.68) MAPKAPK5FYNTTKAURKA
SCHEMBL2069261 0.80 MAPKAPK5 (0.81) MAPKAPK5FYNAURKASYKZAP70
SCHEMBL2071165 0.79 MAPKAPK5 (0.64) MAPKAPK5FYNTTK
SCHEMBL1674278 0.73 MAPKAPK5 (0.61) MAPKAPK5FYNAURKA
SCHEMBL2068672 0.73 MAPKAPK5 (0.72) MAPKAPK5FYNTTK
SCHEMBL1674118 0.73 MAPKAPK5 (0.83) MAPKAPK5FYNSYK
SCHEMBL1674314 0.72 MAPKAPK5 (0.70) MAPKAPK5FYNSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893058-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 US 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
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 13/4885FYN 1514/4885TTK 4173/4885
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 MAPKAPK5 13/4885FYN 1514/4885TTK 4173/4885
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases IKZF3, IRAK2, IRAK1 MAPKAPK5 13/4885FYN 1514/4885TTK 4173/4885

“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.