SCHEMBL718177

SCHEMBL718177

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(-c4cnn(C)c4)cc3c2C)C2CCCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP30 Q70CQ3 2/20 0.33
GCG P01275 1/20 0.33
MMP13 P45452 2/20 0.33
IDH1 O75874 1/20 0.33
GSK3B P49841 3/20 0.32
DYRK1A Q13627 3/20 0.32
WNT1 P04628 1/20 0.32
EPHX2 P34913 1/20 0.32
JAK2 O60674 1/20 0.32
NAMPT P43490 1/20 0.32
DGAT1 O75907 2/20 0.32
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
ITK Q08881 1/20 0.31
CHEK1 O14757 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL718744 0.93 BTK (0.38) BTKGCGMMP13GSK3BDYRK1A
SCHEMBL721953 0.89 DGAT1 (0.36) MEN1KMT2ADGAT1
SCHEMBL717472 0.87 BTK (0.40) BTK
SCHEMBL718427 0.87 KMT2A (0.35) MEN1KMT2AIDH1
SCHEMBL718770 0.87 KMT2A (0.35) MEN1KMT2A
SCHEMBL718266 0.86 BRD4 (0.35) MEN1KMT2A
SCHEMBL720981 0.85 KMT2A (0.34) MEN1KMT2AIDH1
SCHEMBL716825 0.85 NPC1 (0.41) MEN1KMT2AIDH1NAMPT
SCHEMBL719324 0.85 MAPT (0.36) MEN1KMT2A
SCHEMBL720867 0.85 KMT2A (0.34) MEN1KMT2A

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 BTK 3094/4885MEN1 444/4885KMT2A 1298/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP BTK 3094/4885MEN1 444/4885KMT2A 1298/4885

“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.