SCHEMBL4848263

SCHEMBL4848263

N#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2cccnc2n(Cc2ccc(F)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.42
KCNA5 P22460 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CNR2 P34972 5/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
MAPK10 P53779 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
CNR1 P21554 1/20 0.41
MLLT1 Q03111 1/20 0.40

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
SCHEMBL4856490 0.93 KCNA5 (0.47) ALDH1A1KCNA5KDM4EMAPTHTT
SCHEMBL4850922 0.93 HTT (0.49) ALDH1A1KDM4EMAPTHTTLMNA
SCHEMBL4853098 0.91 MAPT (0.45) GAAALDH1A1KDM4EMAPTHTT
SCHEMBL4851714 0.88 ALDH1A1 (0.45) GAAALDH1A1KCNA5KDM4EMAPT
SCHEMBL27631468 0.88 GAA (0.48) GAAALDH1A1TP53KCNA5KDM4E
SCHEMBL5526506 0.87 GAA (0.50) GAAALDH1A1KCNA5KDM4EMAPT
SCHEMBL14195244 0.86 GAA (0.44) GAAALDH1A1KCNA5KDM4EMAPT
SCHEMBL14195248 0.85 GAA (0.44) GAAALDH1A1KCNA5KDM4EMAPT
SCHEMBL14195251 0.85 ALDH1A1 (0.48) GAAALDH1A1KCNA5KDM4EMAPT
SCHEMBL4856567 0.85 ALDH1A1 (0.48) ALDH1A1KCNA5KDM4EMAPTHTT

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-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-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
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
CN-1839133-A Substituted naphthyridine derivatives as inhibitors of macrophage migration inhibitory factor and their use in the treatment of human diseases AVANIR PHARMACEUTICALS (US) 2006-09-27 CN disclosed
EP-1701954-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES Warner-Lambert Company LLC (US) 2006-09-20 EP 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
WO-2005066165-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-07-21 WO 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 GAA 604/4885ALDH1A1 2477/4885TP53 1997/4885
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 GAA 604/4885ALDH1A1 2477/4885TP53 1997/4885

“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.