SCHEMBL2285692

SCHEMBL2285692

COC(=O)c1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
FLT3 P36888 1/20 0.59
KIF11 P52732 2/20 0.58
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CCNB2 O95067 1/20 0.52
CDK1 P06493 1/20 0.52
CCNB1 P14635 1/20 0.52
MDH2 P40926 1/20 0.52
GSK3B P49841 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
PARP1 P09874 1/20 0.51
PPARG P37231 1/20 0.50
GPR84 Q9NQS5 1/20 0.50
FTO Q9C0B1 1/20 0.50

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
SCHEMBL13423978 0.90 MEN1 (0.59) MEN1KMT2AFLT3KIF11KDM4E
SCHEMBL2290102 0.89 MEN1 (0.58) MEN1KMT2AFLT3KIF11PTGS2
SCHEMBL2284207 0.84 PPARG (0.63) MEN1KMT2AFLT3KDM4EALDH1A1
SCHEMBL30472344 0.84 PARP1 (0.59) MEN1KMT2AFLT3KIF11KDM4E
SCHEMBL29031872 0.84 PARP1 (0.59) MEN1KMT2AFLT3KIF11KDM4E
SCHEMBL10746161 0.83 MEN1 (0.57) MEN1KMT2AFLT3KIF11KDM4E
SCHEMBL5441431 0.83 MEN1 (0.54) MEN1KMT2AFLT3KIF11KDM4E
SCHEMBL2818000 0.82 MEN1 (0.56) MEN1KMT2AFLT3KIF11KDM4E
SCHEMBL11558711 0.82 MEN1 (0.69) MEN1KMT2AFLT3KIF11KDM4E
SCHEMBL31463304 0.82 MEN1 (0.56) MEN1KMT2AFLT3KIF11KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 US claimed
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 US disclosed
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 US 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-20110207732-A1 AZAINDOLE DERIVATIVES AZI2, ABL1, RET MEN1 128/4885KMT2A 238/4885FLT3 12/4885

“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.