SCHEMBL4848997

SCHEMBL4848997

COc1ccc(Cn2c(=O)c(C#N)c(Cl)c3cc(Cl)cnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 12/20 0.45
MAPT P10636 3/20 0.45
THRB P10828 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PDE1A P54750 4/20 0.43
PDE1C Q14123 4/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL4849632 0.89 MAPT (0.48) PDE1BMAPTTHRBKDM4EPDE1A
SCHEMBL4851291 0.83 MAPT (0.58) MAPTTHRBKDM4EALDH1A1KMT2A
SCHEMBL4847106 0.79 ALDH1A1 (0.48) PDE1BMAPTKDM4EPDE1APDE1C
SCHEMBL14195213 0.77 GABRA5 (0.49) PDE1BMAPTKDM4EPDE1APDE1C
SCHEMBL14195200 0.77 GABRA5 (0.47) PDE1BMAPTKDM4EPDE1APDE1C
SCHEMBL7833351 0.77 EGLN1 (0.54) PDE1BMAPTTHRBKDM4EALDH1A1
SCHEMBL2857645 0.76 KDM4E (0.52) PDE1BMAPTKDM4EPDE1APDE1C
SCHEMBL4847252 0.76 PDE1B (0.47) PDE1BMAPTTHRBKDM4EPDE1A
SCHEMBL2863880 0.76 P2RX4 (0.62) MAPTKDM4EPDE1CALDH1A1KMT2A
SCHEMBL27961210 0.75 DCTPP1 (0.46) PDE1BMAPTTHRBKDM4EPDE1A

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 5 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-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 PDE1B 1782/4885MAPT 4680/4885THRB 3718/4885
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 PDE1B 1782/4885MAPT 4680/4885THRB 3718/4885

“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.