SCHEMBL4856633

SCHEMBL4856633

CCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2cccnc2n(CCN(C)C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
DCTPP1 Q9H773 1/20 0.41
KCNA5 P22460 2/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 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
SCHEMBL4848714 0.95 ALDH1A1 (0.42) ALDH1A1DCTPP1KCNA5MAPK1NPSR1
SCHEMBL4856604 0.92 ALDH1A1 (0.46) ALDH1A1DCTPP1KCNA5MAPK1NPSR1
SCHEMBL4854526 0.91 ALDH1A1 (0.45) ALDH1A1DCTPP1KCNA5POLBMAPT
SCHEMBL27631470 0.90 ALDH1A1 (0.47) ALDH1A1DCTPP1KCNA5MAPK1NPSR1
SCHEMBL4847218 0.88 ALDH1A1 (0.48) ALDH1A1DCTPP1KCNA5MAPK1NPSR1
SCHEMBL13294709 0.87 L3MBTL1 (0.44) ALDH1A1KCNA5MAPK1NPSR1TDP1
SCHEMBL4849584 0.87 MEN1 (0.47) ALDH1A1MAPK1HTT
SCHEMBL4858262 0.87 ALDH1A1 (0.44) ALDH1A1DCTPP1MAPK1NPSR1TDP1
SCHEMBL4858255 0.85 ALDH1A1 (0.43) ALDH1A1MAPK1NPSR1TDP1
SCHEMBL4855990 0.85 ALDH1A1 (0.42) ALDH1A1MAPK1NPSR1TDP1POLB

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 9 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
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 ALDH1A1 2477/4885DCTPP1 3291/4885KCNA5 4392/4885
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 ALDH1A1 2477/4885DCTPP1 3291/4885KCNA5 4392/4885

“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.