SCHEMBL1198520

SCHEMBL1198520

CCOC(=O)c1cnn(-c2nc(C=CCc3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
HPGD P15428 6/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
ALDH1A1 P00352 4/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
GAA P10253 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
TDP1 Q9NUW8 1/20 0.58
POLB P06746 1/20 0.55
ITGB3 P05106 13/20 0.45
ITGA2B P08514 13/20 0.45
GUCY1A1 Q02108 1/20 0.45
GUCY1B1 Q02153 1/20 0.45

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
SCHEMBL15014156 1.00 KDM4E (0.59) KDM4EHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL1198519 1.00 KDM4E (0.59) KDM4EHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL1198857 0.89 KDM4E (0.61) KDM4EHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL1198855 0.89 KDM4E (0.61) KDM4EHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL1197954 0.88 KDM4E (0.60) KDM4EHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL1197956 0.88 KDM4E (0.60) KDM4EHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL12890283 0.88 KDM4E (0.60) KDM4EHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL1198481 0.84 KDM4E (0.63) KDM4EHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL1198154 0.83 KDM4E (0.62) KDM4EHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL12875660 0.82 MAPT (0.49) KDM4EHPGDL3MBTL1ALDH1A1MAPT

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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 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 (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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A KDM4E 1877/4885HPGD 74/4885L3MBTL1 4726/4885

“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.