Sugi Predict

Sugi Predict / Compounds / SCHEMBL711045

SCHEMBL711045

SCHEMBL711045

CC(C)Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(CO)cnc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ MAPT P10636 6/20 0.37
▸ NPSR1 Q6W5P4 4/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37

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
SCHEMBL711526 0.90 BCHE (0.41) EDNRAPDGFRBPDGFRAMAPK1MAOA
SCHEMBL10206516 0.89 MCL1 (0.41) MCL1PDGFRBPDGFRAMAPTNPSR1
SCHEMBL13639547 0.89 PDGFRB (0.39) EDNRAMCL1PDGFRBPDGFRAMAPT
SCHEMBL711734 0.88 GCK (0.39) EDNRAMCL1PDGFRBPDGFRAGABRP
SCHEMBL711943 0.87 BCHE (0.40) EDNRAMCL1PDGFRBPDGFRAMAPK1
SCHEMBL710310 0.87 GCK (0.47) EDNRAMCL1KDM4EGABRPGABRD
SCHEMBL712035 0.87 GYS1 (0.39) EDNRAMCL1KDM4EGABRPGABRD
SCHEMBL2668249 0.86 PDGFRB (0.37) EDNRAMCL1PDGFRBPDGFRAMAPT
SCHEMBL713174 0.86 MAOA (0.41) EDNRAMCL1PDGFRBPDGFRATDP1
SCHEMBL709341 0.85 MMP13 (0.38) EDNRAMCL1PDGFRBPDGFRAMAPT

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 EDNRA 4645/4885MCL1 4054/4885PDGFRB 3099/4885

“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.