SCHEMBL721090

SCHEMBL721090

CN(CCC(=O)O)C(=O)c1ccc(NC(c2cn(-c3ccccc3)nc2CCc2ccccc2)C2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.40
RIN1 Q13671 4/20 0.40
GCG P01275 7/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRIA2 P42262 1/20 0.38
NAMPT P43490 1/20 0.38
GLP1R P43220 1/20 0.37
GCGR P47871 1/20 0.37
GIPR P48546 1/20 0.37
RCE1 Q9Y256 1/20 0.37
TGM2 P21980 1/20 0.36
MLYCD O95822 1/20 0.34
SLC6A9 P48067 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
SCHEMBL718930 0.89 GCG (0.39) ABL1RIN1GCGNAMPTGLP1R
SCHEMBL718414 0.88 GCG (0.43) ABL1RIN1GCGGLP1RGCGR
SCHEMBL718290 0.87 GCG (0.49) GCGCYP2C9CYP2C19GRIA2GLP1R
SCHEMBL718604 0.86 GCGR (0.51) GCGGLP1RGCGRGIPR
SCHEMBL719609 0.86 GCG (0.38) ABL1RIN1GCGGLP1RGCGR
SCHEMBL719341 0.84 SLC6A9 (0.41) GCGGLP1RGCGRGIPRSLC6A9
SCHEMBL27852303 0.83 GCG (0.38) ABL1RIN1GCGGLP1RGCGR
SCHEMBL721158 0.83 GCG (0.39) GCGRCE1
SCHEMBL718868 0.83 GCGR (0.49) GCGGLP1RGCGRGIPR
SCHEMBL721415 0.83 SLC6A9 (0.41) GCGGLP1RGCGRGIPRSLC6A9

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 10 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-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
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 ABL1 2349/4885RIN1 3722/4885GCG 35/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP ABL1 2349/4885RIN1 3722/4885GCG 35/4885

“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.