SCHEMBL16611189

SCHEMBL16611189

N#Cc1c[nH]c(=O)c2c(-c3cccc(N4CCOCC4)c3)cn(C3CCCC3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 5/20 0.39
TTK P33981 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
LRRK2 Q5S007 4/20 0.37
USP30 Q70CQ3 2/20 0.37
MST1 P26927 1/20 0.37
STK4 Q13043 1/20 0.37
STK3 Q13188 1/20 0.37
STK26 Q9P289 1/20 0.37
GALK1 P51570 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
FER P16591 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NSD2 O96028 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL16610802 0.82 SRC (0.41) LRRK2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL16611087 0.80 CDK2 (0.40) BRD4CREBBPLRRK2KDM4E
SCHEMBL16611384 0.80 BRD4 (0.39) BRD4CREBBPLRRK2USP30STK4
SCHEMBL16611029 0.79 TBK1 (0.42) TBK1TTKRPS6KA3
SCHEMBL16611838 0.78 TDP2 (0.37) LRRK2
SCHEMBL16611079 0.77 ALDH1A1 (0.40) TTKBRD4CREBBPUSP30KDM4E
SCHEMBL16611598 0.77 XDH (0.38) TTKKDM4E
SCHEMBL16611028 0.75 LRRK2 (0.42) LRRK2
SCHEMBL16611419 0.74 XDH (0.39) LRRK2
SCHEMBL16610742 0.74 XDH (0.37) BRD4LRRK2KDM4E

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-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 TBK1 706/4885TTK 2822/4885BRD4 24/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 TBK1 706/4885TTK 2822/4885BRD4 24/4885

“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.