SCHEMBL1674346

SCHEMBL1674346

CCN(CC)CCNC(=O)c1ccc(N)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
LMNA P02545 3/20 0.63
SLC22A1 O15245 2/20 0.63
SLC22A2 O15244 1/20 0.63
TSHR P16473 1/20 0.63
ACHE P22303 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP2C19 P33261 1/20 0.63
BLM P54132 2/20 0.62
PMP22 Q01453 1/20 0.62
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.53
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
ACKR3 P25106 1/20 0.47
MAOB P27338 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HIF1A Q16665 1/20 0.46
KCNH2 Q12809 2/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL2992355 0.86 MAOB (0.49) ALDH1A1LMNASLC22A1SLC22A2TSHR
SCHEMBL16393962 0.83 LMNA (0.51) ALDH1A1LMNASLC22A1SLC22A2TSHR
SCHEMBL2993766 0.82 ALOX15 (0.56) ALDH1A1KDM4EHPGDMAOBHIF1A
SCHEMBL17055348 0.81 MAOB (0.47) LMNAKDM4EMAOBHIF1A
Hydrochloric Acid SCHEMBL12076464 0.80 LMNA (0.48) ALDH1A1LMNASLC22A1SLC22A2TSHR
SCHEMBL3000781 0.80 MAOB (0.51) MAOBHIF1ARAB9A
SCHEMBL29472460 0.79 ALDH1A1 (0.58) ALDH1A1LMNASLC22A1SLC22A2TSHR
SCHEMBL15840356 0.79 ALDH1A1 (0.58) ALDH1A1LMNASLC22A1SLC22A2TSHR
SCHEMBL30464087 0.79 ALDH1A1 (0.57) ALDH1A1LMNASLC22A1SLC22A2TSHR
Procainamide SCHEMBL15914 0.78 ALDH1A1 (1.00) ALDH1A1LMNASLC22A1SLC22A2TSHR

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
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-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-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-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 996/4885LMNA 1882/4885SLC22A1 4195/4885
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 ALDH1A1 996/4885LMNA 1882/4885SLC22A1 4195/4885
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases IKZF3, IRAK2, IRAK1 ALDH1A1 996/4885LMNA 1882/4885SLC22A1 4195/4885

“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.