SCHEMBL1198745

SCHEMBL1198745

CCOC(=O)c1cnn(Cc2nc(-c3cc(C#N)cc(C(F)(F)F)c3)cs2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 6/20 0.39
HPGD P15428 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
ALDH1A1 P00352 5/20 0.39
CYP2C9 P11712 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRM2 Q14416 1/20 0.37
GRM5 P41594 1/20 0.37
RXRA P19793 1/20 0.37
RXRG P48443 1/20 0.37
ELANE P08246 4/20 0.36
XDH P47989 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL1198487 0.92 KDM4E (0.39) MAPK1KDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL1198899 0.91 KDM4E (0.44) MAPK1KDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL1199251 0.90 KDM4E (0.38) MAPK1KDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL12875915 0.89 MAPK1 (0.44) MAPK1KDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL12875727 0.89 KDM4E (0.44) MAPK1KDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL1198941 0.88 KDM4E (0.47) MAPK1KDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL1198158 0.88 L3MBTL1 (0.43) KDM4EHPGDL3MBTL1ALDH1A1CYP2C9
SCHEMBL1198900 0.88 RXRA (0.42) MAPK1KDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL1198832 0.87 ALK (0.42) MAPK1KDM4EHPGDL3MBTL1ALDH1A1
SCHEMBL1198035 0.87 L3MBTL1 (0.41) KDM4EHPGDL3MBTL1ALDH1A1CYP2C9

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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
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
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 MAPK1 255/4885KDM4E 1877/4885HPGD 74/4885

“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.