SCHEMBL718836

SCHEMBL718836

C[N+]1(c2ccccc2)N=C(C(=O)O)c2ccccc21.O=C(O)CCNC(=O)c1ccc(NC(c2nn(-c3ccccc3)c3ccccc23)C2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCG P01275 14/20 0.39
GCGR P47871 3/20 0.38
GLP1R P43220 1/20 0.38
GIPR P48546 1/20 0.38
CNR1 P21554 1/20 0.33
CYP2D6 P10635 1/20 0.33
TNF P01375 1/20 0.32
KIT P10721 1/20 0.32
DDR1 Q08345 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
DDR2 Q16832 1/20 0.32
MYLK4 Q86YV6 1/20 0.32
MAP3K20 Q9NYL2 1/20 0.32
RPS6KA6 Q9UK32 1/20 0.32
MAP3K2 Q9Y2U5 1/20 0.32

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
SCHEMBL719688 0.86 GCGR (0.47) GCGGCGRGLP1RGIPRCNR1
SCHEMBL717433 0.76 GCG (0.47) GCGGCGRGLP1RGIPRCYP2D6
SCHEMBL720161 0.75 P2RX7 (0.38) GCG
SCHEMBL720578 0.73 PDE7A (0.33)
SCHEMBL13069224 0.72 GCG (0.44) GCGGCGRGLP1RGIPRCYP2D6
SCHEMBL2669985 0.69 GCGR (0.47) GCGGCGRGLP1RGIPR
SCHEMBL716763 0.68 GCG (0.58) GCGGCGRGLP1RGIPR
SCHEMBL721236 0.68 GCG (0.48) GCGGCGRGLP1RGIPR
SCHEMBL718932 0.68 GCGR (0.49) GCGGCGRGLP1RGIPR
SCHEMBL717180 0.67 GCG (0.43) GCGGCGRGLP1RGIPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885GCGR 90/4885GLP1R 5/4885

“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.