SCHEMBL3603145

SCHEMBL3603145

CC(C)(C)OC(=O)NC1CCN(c2ccc(C#N)c3ccccc23)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.54
PIM3 Q86V86 1/20 0.54
PIM2 Q9P1W9 1/20 0.54
NSD2 O96028 1/20 0.51
CTSK P43235 2/20 0.51
KCNA3 P22001 1/20 0.50
SUV39H2 Q9H5I1 4/20 0.49
AR P10275 4/20 0.48
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
JAK3 P52333 1/20 0.46
BTK Q06187 1/20 0.46
BRD4 O60885 2/20 0.45
KDM4D Q6B0I6 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL12835989 0.88 PIM1 (0.58) PIM1PIM3PIM2CTSKKCNA3
SCHEMBL12836009 0.86 PIM1 (0.50) PIM1PIM3PIM2CTSKKCNA3
SCHEMBL12835665 0.85 CTSK (0.53) PIM1PIM3PIM2CTSKKCNA3
SCHEMBL3609235 0.85 AR (0.51) AR
SCHEMBL2464322 0.85 KCNA3 (0.57) PIM1PIM3PIM2NSD2CTSK
SCHEMBL12836043 0.84 CTSK (0.52) PIM1PIM3PIM2CTSKSUV39H2
SCHEMBL12836076 0.84 BTK (0.53) PIM1PIM3PIM2NSD2CTSK
SCHEMBL12835680 0.84 SUV39H2 (0.53) PIM1PIM3PIM2CTSKSUV39H2
SCHEMBL12835967 0.83 SUV39H2 (0.49) PIM1PIM3PIM2NSD2CTSK
SCHEMBL12836025 0.83 CTSK (0.50) PIM1PIM3PIM2CTSKKCNA3

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
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20090042857-A1 Novel Pharmaceutical TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 US disclosed
EP-1987827-A1 NOVEL PHARMACEUTICAL Takeda Pharmaceutical Company Limited (JP) 2008-11-05 EP disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 PIM1 3907/4885PIM3 3328/4885PIM2 3876/4885
US-20090042857-A1 Novel Pharmaceutical AR, NR5A1, NR5A2 PIM1 3838/4885PIM3 3392/4885PIM2 4157/4885

“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.