SCHEMBL711592

SCHEMBL711592

CC(C)Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(-c3ccc(F)cc3)cnc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
PTPN1 P18031 2/20 0.38
GPR34 Q9UPC5 1/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ABL1 P00519 1/20 0.37
MAPK14 Q16539 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL10206516 0.94 MCL1 (0.41) MCL1MAPTMAPK1KDM4EALDH1A1
SCHEMBL712059 0.93 MCL1 (0.40) MCL1PTPN1GPR34MAPTMAPK1
SCHEMBL708886 0.92 GPR34 (0.40) MCL1GPR34PDE4BDHODHPDGFRB
SCHEMBL710136 0.92 MAPT (0.43) MCL1MAPTMAPK1NPSR1PDE4B
SCHEMBL719831 0.91 MAP4K4 (0.43) MCL1GPR34MAPTMAPK1CYP1A2
SCHEMBL712803 0.89 MAPT (0.44) MAPTMAPK1KDM4EALDH1A1POLB
Trifluoroacetic Acid SCHEMBL711184 0.88 MCL1 (0.41) MCL1GPR34DHODHCHEK2PTGES
SCHEMBL713544 0.88 FFAR1 (0.40) MCL1PDGFRBPDGFRAPRMT5
SCHEMBL712000 0.87 PRMT5 (0.38) MCL1MAPTMAPK1KDM4EPDE4B
SCHEMBL711177 0.87 PRMT5 (0.42) MAPTMAPK1KDM4EALDH1A1PDE4B

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 9 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-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US 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
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 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 MCL1 4054/4885PTPN1 3316/4885GPR34 2350/4885

“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.