SCHEMBL3401014

SCHEMBL3401014

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2sc3ccncc3c2C)C2CCCCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.34
PDE7A Q13946 3/20 0.32
IDH1 O75874 1/20 0.32
JAK1 P23458 2/20 0.31
JAK2 O60674 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 1/20 0.31
RCE1 Q9Y256 1/20 0.31
LCK P06239 1/20 0.31
JAK3 P52333 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL721279 0.98 NAMPT (0.33) NAMPTPDE7AIDH1JAK1JAK2
SCHEMBL718563 0.94 NAMPT (0.34) NAMPTPDE7AIDH1JAK1JAK2
SCHEMBL3399873 0.91 NAMPT (0.35) NAMPTPDE7AHPGDRCE1LCK
SCHEMBL717719 0.88 TP53 (0.36) NAMPTIDH1MEN1KMT2AMAPT
SCHEMBL720850 0.86 GCGR (0.36) NAMPTMEN1KMT2AMAPTGAA
SCHEMBL716869 0.86 MEN1 (0.41) PDE7AMEN1KMT2ACYP1A2CYP3A4
SCHEMBL719238 0.85 RCE1 (0.41) NAMPTPDE7AIDH1JAK1MEN1
SCHEMBL716694 0.85 NAMPT (0.35) NAMPTPDE7AHPGDRCE1LCK
SCHEMBL716928 0.85 NPC1 (0.38) NAMPTPDE7AIDH1MAPTCYP1A2
SCHEMBL722172 0.84 RCE1 (0.41) NAMPTIDH1JAK1MEN1KMT2A

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 3 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
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 (1 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-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP NAMPT 69/4885PDE7A 2449/4885IDH1 322/4885

“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.