SCHEMBL2855873

SCHEMBL2855873

O=C(O)NC(=S)Nc1ccc(Oc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
CDK8 P49336 2/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
ALOX12 P18054 2/20 0.52
CCR6 P51684 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 2/20 0.51
KCNK3 O14649 1/20 0.51
PTGS1 P23219 1/20 0.51
KDR P35968 4/20 0.51
KIT P10721 2/20 0.51
PDGFRB P09619 1/20 0.51
FGFR1 P11362 1/20 0.51
BRAF P15056 1/20 0.51
PDGFRA P16234 1/20 0.51
FLT1 P17948 1/20 0.51
FGFR3 P22607 1/20 0.51
TEK Q02763 1/20 0.51

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
SCHEMBL4287982 0.87 BRAF (0.57) KDRBRAF
SCHEMBL3643371 0.85 CDK8 (0.55) GAACDK8MAPTKCNK3PTGS1
SCHEMBL3804870 0.83 CDK8 (0.51) GAACDK8ALDH1A1MAPTALOX12
SCHEMBL2857312 0.81 CDK8 (0.79) GAACDK8MAPTPTGS1KDR
SCHEMBL2855468 0.80 RAB9A (0.55) GAACDK8MAPTALOX12MEN1
SCHEMBL4365523 0.80 ALDH1A1 (0.69) GAAALDH1A1MAPTALOX12CCR6
SCHEMBL2855460 0.79 CDK8 (0.45) CDK8MAPTKDRRAB9A
SCHEMBL4280855 0.78 MET (0.43) CDK8ALDH1A1MAPTMEN1KMT2A
SCHEMBL12412290 0.78 MEN1 (0.71) MAPTMEN1KMT2AKCNK3KDR
SCHEMBL4281845 0.77 BRAF (0.59) BRAF

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
EP-2162445-B1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-11-27 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 GAA 3803/4885CDK8 197/4885ALDH1A1 625/4885
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX GAA 4732/4885CDK8 2998/4885ALDH1A1 2812/4885

“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.