SCHEMBL4856490

SCHEMBL4856490

N#Cc1ccc(Cn2c(=O)c(C#N)c(N3CCN(C(=O)c4cccs4)CC3)c3cccnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.47
ALDH1A1 P00352 8/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MLLT1 Q03111 1/20 0.40
HSD17B10 Q99714 2/20 0.39
MAPK10 P53779 1/20 0.39
SLC6A7 Q99884 1/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4850922 0.93 HTT (0.49) ALDH1A1KDM4EHTTSMN1; SMN2HSD17B10
SCHEMBL4848263 0.93 GAA (0.47) KCNA5ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL4853098 0.87 MAPT (0.45) ALDH1A1KDM4EHTTSMN1; SMN2HSD17B10
SCHEMBL5532579 0.86 KCNA5 (0.48) KCNA5ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL14195251 0.86 ALDH1A1 (0.48) KCNA5ALDH1A1KDM4EHTTHSD17B10
SCHEMBL4856567 0.86 ALDH1A1 (0.48) KCNA5ALDH1A1KDM4EHTTHSD17B10
SCHEMBL4851714 0.85 ALDH1A1 (0.45) KCNA5ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL4856561 0.85 ALDH1A1 (0.48) KCNA5ALDH1A1KDM4EHTTHSD17B10
SCHEMBL4854607 0.85 ALDH1A1 (0.48) KCNA5ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL14194804 0.85 ALDH1A1 (0.48) KCNA5ALDH1A1KDM4EHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361760-B2 Substituted naphthyridine derivatives as inhibitors of macrophage migration inhibitory factor and their use in the treatment of human diseases AVANIR PHARMACEUTICALS (US) 2008-04-22 US disclosed
US-7361760-B2 Substituted naphthyridine derivatives as inhibitors of macrophage migration inhibitory factor and their use in the treatment of human diseases AVANIR PHARMACEUTICALS (US) 2008-04-22 US disclosed
US-20070191388-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-08-16 US disclosed
US-20070191388-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-08-16 US disclosed
EP-1656376-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2006-05-17 EP disclosed
US-20050124604-A1 Substituted naphthyridine derivatives as inhibitors of macrophage migration inhibitory factor and their use in the treatment of human diseases AVANIR PHARMACEUTICALS, INC. 2005-06-09 US disclosed
WO-2005021546-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2005-03-10 WO 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-20070191388-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES MIF, MSR1, SLC11A2 KCNA5 4392/4885ALDH1A1 2477/4885PTGDR2 839/4885
US-20050124604-A1 Substituted naphthyridine derivatives as inhibitors of macrophage migration inhibitory factor and their use in the treatment of human diseases MIF, MSR1, SLC11A2 KCNA5 4392/4885ALDH1A1 2477/4885PTGDR2 839/4885

“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.