SCHEMBL5126091

SCHEMBL5126091

Cc1cccc(C(O)=Cc2ccnc(NC(=O)OC(C)(C)C)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
GRM4 Q14833 1/20 0.38
IDE P14735 2/20 0.38
MAPK10 P53779 1/20 0.37
ITK Q08881 1/20 0.37
NT5E P21589 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPK14 Q16539 2/20 0.36
GRM5 P41594 1/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 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
SCHEMBL5126085 1.00 AAK1 (0.38) AAK1RAB9ALMNANPC1HTT
SCHEMBL5119337 0.84 AAK1 (0.37) AAK1GRM4MAPK14HDAC3HDAC1
SCHEMBL5119342 0.84 AAK1 (0.37) AAK1GRM4MAPK14HDAC3HDAC1
SCHEMBL5119910 0.75 PARP1 (0.41) RAB9ALMNANPC1HTTSMN1; SMN2
SCHEMBL5203158 0.74 GRM4 (0.45) RAB9ALMNANPC1HTTSMN1; SMN2
SCHEMBL5203148 0.74 GRM4 (0.45) RAB9ALMNANPC1HTTSMN1; SMN2
SCHEMBL5203135 0.71 NPC1 (0.47) AAK1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL2382460 0.70 HDAC8 (0.57) RAB9ALMNANPC1SMN1; SMN2KCNK3
SCHEMBL5111926 0.69 MAPK14 (0.41) RAB9ANPC1SMN1; SMN2GRM4KMT2A
SCHEMBL5111921 0.69 MAPK14 (0.41) RAB9ANPC1SMN1; SMN2GRM4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167314-A1 Condensed Imidazole Compound And Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
EP-1832588-A1 CONDENSED IMIDAZOLE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-09-12 EP disclosed
US-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 EP 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 (2 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-20080167314-A1 Condensed Imidazole Compound And Use Thereof MAPK13, MMP13, MAPK3 AAK1 2433/4885RAB9A 2342/4885LMNA 1290/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 AAK1 187/4885RAB9A 2829/4885LMNA 4149/4885

“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.