SCHEMBL722254

SCHEMBL722254

COc1ccc(-n2cc(C(CC(C)C)Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)c(C(C)C)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AURKA O14965 3/20 0.35
DRD2 P14416 1/20 0.35
GCGR P47871 2/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.34
LIMK2 P53671 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
NAMPT P43490 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
TBXAS1 P24557 1/20 0.34

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
SCHEMBL717949 0.89 GCG (0.41) GCGADORA3L3MBTL1MEN1KMT2A
SCHEMBL720841 0.87 GCG (0.37) GCGADORA3L3MBTL1MEN1KMT2A
SCHEMBL719044 0.86 GCGR (0.48) GCGGCGR
SCHEMBL719861 0.83 SLC6A9 (0.41) GCGADORA3L3MBTL1MEN1KMT2A
SCHEMBL717241 0.77 GCG (0.44) GCGL3MBTL1MEN1KMT2AAURKA
SCHEMBL717855 0.77 SLC6A9 (0.42) GCGADORA3L3MBTL1MEN1KMT2A
SCHEMBL3403967 0.76 MEN1 (0.39) GCGMEN1KMT2AGCGR
SCHEMBL720667 0.75 GCGR (0.49) GCGGCGR
SCHEMBL2669797 0.75 SLC6A9 (0.42) GCGADORA3L3MBTL1MEN1KMT2A
SCHEMBL3104644 0.75 ALDH1A1 (0.43) GCGMEN1KMT2ADRD2GCGR

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885ADORA3 2906/4885L3MBTL1 4088/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885ADORA3 2906/4885L3MBTL1 4088/4885

“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.