SCHEMBL2105831

SCHEMBL2105831

O=Cc1ccc(Sc2nc3cc(C(F)(F)F)ccc3[nH]2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 10/20 0.52
LMNA P02545 6/20 0.42
POLB P06746 3/20 0.42
ALDH1A1 P00352 8/20 0.42
MAPT P10636 8/20 0.42
HPGD P15428 7/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
HTT P42858 4/20 0.42
KDM4E B2RXH2 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
THRB P10828 2/20 0.39
RECQL P46063 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
S100A4 P26447 1/20 0.39
MAPK1 P28482 2/20 0.39
ALOX12 P18054 1/20 0.38
MCL1 Q07820 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
SCHEMBL2106204 0.91 MYC (0.61) MYCLMNAPOLBALDH1A1MAPT
SCHEMBL2104429 0.84 ALDH1A1 (0.51) MYCLMNAPOLBALDH1A1MAPT
SCHEMBL2106535 0.83 MYC (0.54) MYCLMNAPOLBALDH1A1MAPT
SCHEMBL2106226 0.82 MYC (0.47) MYCLMNAPOLBALDH1A1MAPT
SCHEMBL2107082 0.81 ALDH1A1 (0.47) MYCLMNAPOLBALDH1A1MAPT
SCHEMBL2104819 0.79 MYC (0.52) MYCLMNAPOLBALDH1A1MAPT
SCHEMBL2100202 0.79 MYC (0.67) MYCLMNAPOLBALDH1A1MAPT
SCHEMBL2107579 0.79 MYC (0.43) MYCLMNAPOLBALDH1A1MAPT
SCHEMBL2105385 0.78 MYC (0.58) MYCLMNAPOLBALDH1A1MAPT
SCHEMBL2105446 0.77 MYC (0.41) MYCLMNAPOLBALDH1A1MAPT

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-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
EP-1746097-B1 1,4-dihydropyridine-fused heterocycles, process for preparing the same, use and compositions containing them AVENTIS PHARMA SA (FR) 2010-01-13 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
EP-1746097-A1 1,4-dihydropyridine-fused heterocycles, process for preparing the same, use and compositions containing them Aventis Pharma S.A. (FR) 2007-01-24 EP 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 MYC 3202/4885LMNA 1573/4885POLB 2593/4885

“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.