SCHEMBL2106535

SCHEMBL2106535

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 11/20 0.54
ALDH1A1 P00352 7/20 0.40
MAPT P10636 7/20 0.40
HPGD P15428 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
LMNA P02545 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HTT P42858 4/20 0.40
KDM4E B2RXH2 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
POLB P06746 3/20 0.39
THRB P10828 2/20 0.38
RECQL P46063 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
S100A4 P26447 1/20 0.38
MAPK1 P28482 1/20 0.38
ALOX12 P18054 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL2107579 0.87 MYC (0.43) MYCALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2104819 0.85 MYC (0.52) MYCALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2105831 0.83 MYC (0.52) MYCALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2105446 0.83 MYC (0.41) MYCALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2104429 0.82 ALDH1A1 (0.51) MYCALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2106226 0.79 MYC (0.47) MYCALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2105865 0.78 MYC (0.51) MYCALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2107082 0.78 ALDH1A1 (0.47) MYCALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2106204 0.76 MYC (0.61) MYCALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2856823 0.76 MYC (0.62) MYCLMNA

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 MYC 3202/4885ALDH1A1 191/4885MAPT 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.