SCHEMBL720373

SCHEMBL720373

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2sc3cc(C(F)(F)F)cnc3c2C)C2CCCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCG P01275 9/20 0.36
IDH1 O75874 1/20 0.35
NR1H2 P55055 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLP1R P43220 1/20 0.32
GCGR P47871 1/20 0.32
GIPR P48546 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ITK Q08881 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL720332 0.92 GCG (0.41) GCGGLP1RGCGRGIPRHPGD
SCHEMBL719238 0.85 RCE1 (0.41) IDH1KDM4EL3MBTL1ITKMEN1
SCHEMBL722172 0.83 RCE1 (0.41) GCGIDH1KDM4EL3MBTL1MEN1
SCHEMBL720172 0.83 ALDH1A1 (0.44) GCGKDM4ENPSR1HPGDALDH1A1
SCHEMBL718728 0.82 RCE1 (0.44) GCGKDM4ENPSR1GLP1RGCGR
SCHEMBL718563 0.82 NAMPT (0.34) IDH1HPGDL3MBTL1MEN1KMT2A
SCHEMBL3401014 0.82 NAMPT (0.34) IDH1HPGDL3MBTL1MEN1KMT2A
SCHEMBL717719 0.81 TP53 (0.36) IDH1GCGRL3MBTL1MEN1KMT2A
SCHEMBL721279 0.80 NAMPT (0.33) GCGIDH1L3MBTL1MEN1KMT2A
SCHEMBL716928 0.79 NPC1 (0.38) IDH1KDM4EHPGDL3MBTL1ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN 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-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN 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 35/4885IDH1 322/4885NR1H2 826/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885IDH1 322/4885NR1H2 826/4885

“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.