SCHEMBL263841

SCHEMBL263841

N#Cc1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
XDH P47989 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FOXO1 Q12778 1/20 0.36
KDM1A O60341 3/20 0.36
CTSL P07711 2/20 0.34
CTSS P25774 1/20 0.34
CTSB P07858 1/20 0.34

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
Hydrochloric Acid SCHEMBL261293 0.88 MEN1 (0.42) MEN1KMT2AGAAXDHL3MBTL1
SCHEMBL260964 0.83 MEN1 (0.65) MEN1KMT2AGAAL3MBTL1KDM4E
SCHEMBL262376 0.83 GAA (0.53) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL262114 0.83 MEN1 (0.53) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL262967 0.81 MEN1 (0.46) MEN1KMT2AGAAXDHKDM4E
SCHEMBL266493 0.81 MEN1 (0.49) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL261235 0.81 MEN1 (0.49) MEN1KMT2AGAAXDHL3MBTL1
SCHEMBL265562 0.81 GAA (0.48) MEN1KMT2AGAAL3MBTL1KDM4E
SCHEMBL262375 0.81 MEN1 (0.48) MEN1KMT2AGAAL3MBTL1KDM4E
SCHEMBL263654 0.81 MEN1 (0.59) MEN1KMT2AGAAKDM4EALDH1A1

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-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
CN-101400655-A Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2009-04-01 CN disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 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 (2 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 MEN1 3327/4885KMT2A 2966/4885GAA 4203/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 MEN1 2994/4885KMT2A 2967/4885GAA 4528/4885

“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.