SCHEMBL712107

SCHEMBL712107

O=C(OC(=O)C(F)(F)F)c1cnc2[nH]c(-c3ccc(OCc4ccccc4)cc3OCc3ccccc3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
SRD5A2 P31213 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGLN1 Q9GZT9 2/20 0.36
PTPN1 P18031 1/20 0.36
PDK2 Q15119 1/20 0.36
TOP1 P11387 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
RAB9A P51151 1/20 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
Trifluoroacetic Acid SCHEMBL712106 0.89 CSNK2A2 (0.43) CHEK2CSNK2A2CSNK2A1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL710612 0.87 MAOB (0.49) CSNK2A2CSNK2A1MAOBALDH1A1HPGD
SCHEMBL10206508 0.86 CSNK2A2 (0.47) CHEK2CSNK2A2CSNK2A1KDM4EALDH1A1
SCHEMBL10206496 0.85 MAOB (0.51) CSNK2A2CSNK2A1MAOBALDH1A1HPGD
SCHEMBL9071800 0.85 MAOB (0.46) CHEK2CSNK2A2CSNK2A1MAOBKDM4E
Trifluoroacetic Acid SCHEMBL710782 0.84 MAPT (0.41) CHEK2CSNK2A2CSNK2A1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL710837 0.81 MAOB (0.46) MAOBALDH1A1HPGDMAPT
Trifluoroacetic Acid SCHEMBL711971 0.80 CYP3A4 (0.43) CHEK2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL10206527 0.78 MAPT (0.45) CHEK2MAOBKDM4EPTPN1NPC1
SCHEMBL10206497 0.78 MAOB (0.47) MAOBALDH1A1HPGDMAPT

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
EP-1940837-B1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-11-07 EP disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 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 (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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK CHEK2 1189/4885CSNK2A2 350/4885CSNK2A1 326/4885

“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.