SCHEMBL15216972

SCHEMBL15216972

COc1cc(NC(C)=O)c(C(C)=O)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 3/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
MAPK1 P28482 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 2/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 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
SCHEMBL20373539 0.90 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL20647549 0.86 HTT (0.56) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL3545178 0.85 MEN1 (0.58) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL30665901 0.85 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL26654625 0.85 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL1316388 0.83 LCK (0.56) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL3958932 0.82 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL20647555 0.82 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL527222 0.82 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8186768 0.81 LCK (0.53) MEN1KMT2AALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 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-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND PDE9A, PDE5A, PDE2A MEN1 4011/4885KMT2A 2716/4885ALDH1A1 381/4885

“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.