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SCHEMBL710776

SCHEMBL710776

CC(C)Oc1ccc(-c2nc3cc(C(=O)O)cnc3[nH]2)c(OC(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.45
▸ KMT2A Q03164 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ XDH P47989 1/20 0.39
▸ GCK P35557 7/20 0.37
▸ RARA P10276 1/20 0.37
▸ RARB P10826 1/20 0.37
▸ RARG P13631 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ CBFB Q13951 1/20 0.37
▸ ULK1 O75385 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL711368 0.91 XDH (0.41) MCL1KMT2AHDAC3HDAC1HDAC2
SCHEMBL711611 0.90 GCK (0.47) MCL1KMT2AGCKCSNK2A2CSNK2A1
SCHEMBL10206500 0.87 MAPT (0.43) MCL1KMT2AHDAC3HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL709514 0.83 MAPT (0.43) MCL1KMT2AHDAC3HDAC1HDAC2
SCHEMBL10206533 0.83 MCL1 (0.43) MCL1HDAC3HDAC1HDAC2HDAC8
SCHEMBL712337 0.82 HDAC3 (0.43) KMT2AHDAC3HDAC1HDAC2HDAC8
SCHEMBL710310 0.81 GCK (0.47) MCL1KMT2AGCKCSNK2A2CSNK2A1
Trifluoroacetic Acid SCHEMBL712824 0.80 MCL1 (0.42) MCL1KMT2AHDAC3HDAC1HDAC2
SCHEMBL10206497 0.80 MAOB (0.47) KMT2AGCKALDH1A1
SCHEMBL710777 0.79 MAPT (0.43) KMT2AHDAC3HDAC1HDAC2HDAC8

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4054/4885KMT2A 2502/4885HDAC3 683/4885

“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.