SCHEMBL1198997

SCHEMBL1198997

CCOC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.71
HPGD P15428 5/20 0.71
L3MBTL1 Q9Y468 4/20 0.71
ALDH1A1 P00352 3/20 0.71
MEN1 O00255 2/20 0.71
GAA P10253 2/20 0.71
MAPT P10636 2/20 0.71
KMT2A Q03164 2/20 0.71
CYP1A2 P05177 2/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2C19 P33261 2/20 0.71
ITGB2 P05107 2/20 0.69
ICAM1 P05362 2/20 0.69
ITGAL P20701 2/20 0.69
TDP1 Q9NUW8 1/20 0.68
ITGB3 P05106 13/20 0.59
ITGA2B P08514 13/20 0.59
POLB P06746 1/20 0.57

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
SCHEMBL7346602 0.92 KDM4E (0.85) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL1198929 0.88 KDM4E (0.68) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL1198783 0.88 ITGB2 (0.71) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL12875535 0.88 KDM4E (0.66) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL12875579 0.87 KDM4E (0.65) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL12875511 0.86 KDM4E (0.64) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL4827464 0.83 MEN1 (0.61) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL1198891 0.83 KDM4E (0.85) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL4829035 0.82 KDM4E (0.57) KDM4EHPGDL3MBTL1ALDH1A1MEN1
SCHEMBL1198615 0.82 KDM4E (0.83) KDM4EHPGDL3MBTL1ALDH1A1MEN1

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 10 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
US-7358267-B2 Bis-aryl thiazole derivatives AMGEN INC. (US) 2008-04-15 US disclosed
US-7358267-B2 Bis-aryl thiazole derivatives AMGEN INC. (US) 2008-04-15 US disclosed
US-7358267-B2 Bis-aryl thiazole derivatives AMGEN INC. (US) 2008-04-15 US disclosed
US-20050215608-A1 Bis-aryl thiazole derivatives AMGEN INC. 2005-09-29 US disclosed
WO-2003002062-A2 BIS-ARYL THIAZOLE DERIVATIVES TULARIK INC. (US) 2003-01-09 WO 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A KDM4E 1877/4885HPGD 74/4885L3MBTL1 4726/4885
US-20050215608-A1 Bis-aryl thiazole derivatives FABP4, PC, TXNRD2 KDM4E 3696/4885HPGD 1245/4885L3MBTL1 2842/4885

“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.