SCHEMBL716869

SCHEMBL716869

CCOC(=O)CCNC(=O)c1ccc(NC(c2sc3ccncc3c2C)C2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GCG P01275 12/20 0.40
GCGR P47871 2/20 0.36
GLP1R P43220 1/20 0.36
GIPR P48546 1/20 0.36
PDE7A Q13946 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 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
SCHEMBL720081 0.94 MEN1 (0.41) MEN1KMT2AGCGGCGRGLP1R
SCHEMBL719154 0.91 GCG (0.43) MEN1KMT2AGCGGCGRGLP1R
SCHEMBL717527 0.90 GCG (0.48) GCGGCGRGLP1RGIPR
SCHEMBL718203 0.88 GCGR (0.45) MEN1KMT2AGCGGCGR
SCHEMBL3401014 0.86 NAMPT (0.34) MEN1KMT2APDE7ACYP1A2CYP3A4
SCHEMBL719072 0.85 MEN1 (0.42) MEN1KMT2AGCGPDE7A
SCHEMBL718103 0.84 MEN1 (0.41) MEN1KMT2AGCGPDE7ACYP1A2
SCHEMBL721279 0.84 NAMPT (0.33) MEN1KMT2AGCGPDE7A
SCHEMBL717365 0.84 GCG (0.48) GCGGCGRGLP1RGIPR
SCHEMBL14905709 0.82 RCE1 (0.45) GCGPDE7A

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
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-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 MEN1 444/4885KMT2A 1298/4885GCG 35/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885GCG 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.