SCHEMBL720161

SCHEMBL720161

CN(CCC(=O)O)C(=O)c1ccc(NC(c2nn(-c3ccccc3)c3ccccc23)C2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRIA2 P42262 1/20 0.38
ABL1 P00519 3/20 0.37
RIN1 Q13671 3/20 0.37
GCG P01275 3/20 0.36
KHK P50053 1/20 0.35
RCE1 Q9Y256 1/20 0.35
NAMPT P43490 2/20 0.35
PDE7A Q13946 1/20 0.35
NR3C1 P04150 1/20 0.34
ACHE P22303 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PTAFR P25105 1/20 0.34
RECQL P46063 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
SCHEMBL719715 0.91 HTR3A (0.37) ABL1RIN1GCGRCE1NAMPT
SCHEMBL3403468 0.89 PDE7A (0.40) ABL1RIN1GCGRCE1PDE7A
SCHEMBL721466 0.87 PDE7A (0.36) ABL1RIN1GCGRCE1NAMPT
SCHEMBL719688 0.85 GCGR (0.47) GCG
SCHEMBL721467 0.81 SSTR4 (0.35) ABL1RIN1RCE1NAMPTPDE7A
SCHEMBL9070785 0.79 GCG (0.43) CYP2C9CYP2C19GRIA2GCGNAMPT
SCHEMBL718414 0.79 GCG (0.43) P2RX7ABL1RIN1GCGRCE1
SCHEMBL720578 0.79 PDE7A (0.33) ABL1RIN1RCE1PDE7A
SCHEMBL721090 0.77 ABL1 (0.40) CYP2C9CYP2C19GRIA2ABL1RIN1
SCHEMBL716794 0.77 GCG (0.40) ABL1RIN1GCGRCE1NAMPT

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 11 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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US 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-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 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
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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
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 P2RX7 2234/4885CYP2C9 896/4885CYP2C19 946/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP P2RX7 2234/4885CYP2C9 896/4885CYP2C19 946/4885

“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.