SCHEMBL2107082

SCHEMBL2107082

O=Cc1ccc(Sc2nc3cc(F)c(F)cc3[nH]2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 6/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MYC P01106 13/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
USP2 O75604 1/20 0.44
THRB P10828 1/20 0.44
S100A4 P26447 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 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
SCHEMBL2105578 0.90 MYC (0.50) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL2104429 0.86 ALDH1A1 (0.51) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL2105385 0.85 MYC (0.58) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL2104524 0.82 ALDH1A1 (0.41) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL2108205 0.82 MYC (0.44) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL29952097 0.81 MYC (0.48) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL2106226 0.81 MYC (0.47) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL2107497 0.81 MYC (0.61) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL2857240 0.81 MYC (0.48) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL2106204 0.81 MYC (0.61) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2

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-8163768-B2 4-(4-Hydroxy-3-methyl-phenyl)-2,4,6,7,8,9-hexahydro-pyrazolo[3,4-b]-1,7-naphthyridin-5-one; inhibiting Aurora kinase; inhibiting the proliferation of tumor cells; cancer, psoriasis, leukaemia and lupus AVENTIS PHARMA S.A.. (FR) 2012-04-24 US disclosed
EP-1910366-B1 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2011-08-24 EP disclosed
US-20080261969-A1 1,4-Dihydropyridine-Fused Heterocycles, Process for Preparing the Same, Use and Compositions Containing Them AVENTIS PHARMA S.A. (FR) 2008-10-23 US disclosed
EP-1910366-A2 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2008-04-16 EP disclosed
WO-2007012972-A2 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2007-02-01 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 (1 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-20080261969-A1 1,4-Dihydropyridine-Fused Heterocycles, Process for Preparing the Same, Use and Compositions Containing Them DPYD, DHPS, QDPR ALDH1A1 191/4885HPGD 16/4885MAPT 1248/4885

“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.