SCHEMBL720151

SCHEMBL720151

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2cn(-c3ccccc3Cl)nc2C)C2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCG P01275 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
RCE1 Q9Y256 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
P2RX3 P56373 1/20 0.32
TSHR P16473 2/20 0.32
PDE4B Q07343 1/20 0.32
IDH1 O75874 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 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
SCHEMBL717929 0.92 GCG (0.46) GCGMEN1KMT2ARCE1ABL1
SCHEMBL719327 0.91 GCG (0.35) GCGL3MBTL1MEN1KMT2AMAPT
SCHEMBL721260 0.88 CASP3 (0.38) GCGMAPTHTR2AHTR2CSLC6A4
SCHEMBL717775 0.85 MAPT (0.39) GCGMEN1KMT2AMAPTSLC6A4
SCHEMBL718892 0.85 GCG (0.35) GCGL3MBTL1MEN1KMT2AMAPT
SCHEMBL27834168 0.84 NTSR1 (0.34) GCGL3MBTL1MEN1KMT2AMAPT
SCHEMBL28945605 0.83 NTSR1 (0.36) GCGL3MBTL1MEN1KMT2AMAPT
SCHEMBL717389 0.83 GCG (0.41) GCGRCE1PDE4B
SCHEMBL27946266 0.83 NTSR1 (0.34) GCGL3MBTL1MEN1KMT2AMAPT
SCHEMBL718414 0.82 GCG (0.43) GCGRCE1ABL1RIN1

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 GCG 35/4885L3MBTL1 4088/4885MEN1 444/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885L3MBTL1 4088/4885MEN1 444/4885

“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.