Sugi Predict

Sugi Predict / Compounds / SCHEMBL711044

SCHEMBL711044

SCHEMBL711044

CC(C)Oc1cc(OCCCc2cccnc2)cc(-c2nc3cccnc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 3/20 0.46
▸ GRM2 Q14416 2/20 0.41
▸ SERPINE1 P05121 4/20 0.39
▸ PTAFR P25105 2/20 0.38
▸ TBXAS1 P24557 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ ACP1 P24666 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CBFB Q13951 1/20 0.36
▸ PIK3CA P42336 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
SCHEMBL711559 0.92 GCK (0.46) GCKKDM4EALDH1A1SMN1; SMN2CBFB
SCHEMBL2668116 0.89 GCK (0.44) GCKGRM2SERPINE1PTAFRTBXAS1
SCHEMBL10206659 0.89 DHODH (0.41) GCKGRM2HPGDPOLBKDM4E
SCHEMBL711181 0.87 GCK (0.45) GCKCBFB
SCHEMBL10206513 0.87 GCK (0.56) GCKGRM2SERPINE1PTAFRTBXAS1
SCHEMBL10206505 0.84 GCK (0.48) GCKGRM2SERPINE1PTAFRTBXAS1
Trifluoroacetic Acid SCHEMBL710573 0.83 GCK (0.52) GCKGRM2SERPINE1PTAFRTBXAS1
Trifluoroacetic Acid SCHEMBL711785 0.83 GCK (0.45) GCKSERPINE1PTAFRTBXAS1KDM4E
SCHEMBL709496 0.83 PRMT5 (0.44) GCKCYP3A4CBFB
SCHEMBL712130 0.82 CBFB (0.41) GCKCYP3A4CYP2D6CYP2C9HPGD

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 GCK 1/4885GRM2 1333/4885SERPINE1 835/4885

“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.