SCHEMBL2105578

SCHEMBL2105578

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 10/20 0.50
ALDH1A1 P00352 6/20 0.44
MAPT P10636 6/20 0.44
HPGD P15428 6/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 4/20 0.41
THRB P10828 3/20 0.41
RECQL P46063 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
USP2 O75604 1/20 0.41
S100A4 P26447 1/20 0.41
ALOX12 P18054 1/20 0.40
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2107082 0.90 ALDH1A1 (0.47) MYCALDH1A1MAPTHPGDKDM4E
SCHEMBL2105385 0.90 MYC (0.58) MYCALDH1A1MAPTHPGDKDM4E
SCHEMBL2104557 0.84 MYC (0.52) MYCALDH1A1MAPTHPGDKDM4E
SCHEMBL2107497 0.82 MYC (0.61) MYCALDH1A1MAPTHPGDKDM4E
SCHEMBL2104429 0.82 ALDH1A1 (0.51) MYCALDH1A1MAPTHPGDKDM4E
SCHEMBL2108205 0.78 MYC (0.44) MYCALDH1A1MAPTHPGDKDM4E
SCHEMBL29952097 0.77 MYC (0.48) MYCALDH1A1MAPTHPGDKDM4E
SCHEMBL2857240 0.77 MYC (0.48) MYCALDH1A1MAPTHPGDKDM4E
SCHEMBL2106226 0.77 MYC (0.47) MYCALDH1A1MAPTHPGDKDM4E
SCHEMBL2106204 0.77 MYC (0.61) MYCALDH1A1MAPTHPGDKDM4E

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.