SCHEMBL716574

SCHEMBL716574

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2cn(-c3cc(F)cc(F)c3)nc2CC)C2CCCCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.34
GCG P01275 4/20 0.32
SLC6A9 P48067 6/20 0.32
P2RX3 P56373 1/20 0.32
PIK3CB P42338 3/20 0.31
NR1H2 P55055 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
PIK3CD O00329 2/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CG P48736 2/20 0.31
RCE1 Q9Y256 1/20 0.31
NAMPT P43490 2/20 0.30

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
SCHEMBL721166 0.92 GCG (0.37) GCGSLC6A9SLC6A5RCE1NAMPT
SCHEMBL717215 0.90 RAB9A (0.37) IDH1GCGMEN1KMT2ARCE1
SCHEMBL720989 0.89 MAPT (0.37) IDH1SLC6A9MEN1KMT2A
SCHEMBL718971 0.87 GCG (0.44) GCGMEN1KMT2A
SCHEMBL718892 0.84 GCG (0.35) IDH1GCGSLC6A9MEN1KMT2A
SCHEMBL14905742 0.84 MAPT (0.36) IDH1SLC6A9MEN1KMT2A
SCHEMBL721158 0.83 GCG (0.39) GCGMEN1KMT2ARCE1
SCHEMBL720865 0.83 GCG (0.32) GCG
SCHEMBL721260 0.82 CASP3 (0.38) IDH1GCGP2RX3RCE1
SCHEMBL717775 0.81 MAPT (0.39) IDH1GCGSLC6A9MEN1KMT2A

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 IDH1 322/4885GCG 35/4885SLC6A9 1426/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP IDH1 322/4885GCG 35/4885SLC6A9 1426/4885

“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.