SCHEMBL3101751

SCHEMBL3101751

Cc1oc(-c2cnn(C)c2)cc1C(CC(C)C)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
CHEK1 O14757 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAP4K4 O95819 1/20 0.39
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
JAK2 O60674 1/20 0.34
HAT1 O14929 2/20 0.33
EP300 Q09472 2/20 0.33
LRRK2 Q5S007 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
NAMPT P43490 1/20 0.33
GCG P01275 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL3102012 0.88 GCG (0.47) GCG
SCHEMBL3093964 0.87 GCG (0.42) AAK1GRNSORT1HSP90AA1HSP90AB1
SCHEMBL3107126 0.84 ALDH1A1 (0.47) NPC1GAAMEN1ALDH1A1KMT2A
SCHEMBL3101932 0.81 NPC1 (0.39) NPC1GAAHSP90AA1MKNK1MKNK2
SCHEMBL3106989 0.81 NPC1 (0.39) NPC1GAAMEN1KMT2A
SCHEMBL3101693 0.80 AAK1 (0.40) AAK1NPC1GAAGCGMEN1
SCHEMBL3109992 0.80 MKNK1 (0.38) AAK1CHEK1NPC1GAAMKNK1
SCHEMBL3107138 0.80 RCE1 (0.44) CHEK1NPC1GAAMAP4K4PIM1
SCHEMBL3099266 0.79 ALDH1A1 (0.40) NPC1GAAMEN1ALDH1A1KMT2A
SCHEMBL3100060 0.79 PPARD (0.41) NPC1GAAGCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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 (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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR AAK1 3786/4885CHEK1 3225/4885NPC1 3994/4885

“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.