SCHEMBL2859339

SCHEMBL2859339

Nc1ccc(Oc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.71
MAPT P10636 3/20 0.69
L3MBTL1 Q9Y468 3/20 0.69
MAPK1 P28482 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
RAB9A P51151 2/20 0.64
KDR P35968 3/20 0.64
PDGFRB P09619 1/20 0.64
KIT P10721 1/20 0.64
FGFR1 P11362 1/20 0.64
BRAF P15056 1/20 0.64
PDGFRA P16234 1/20 0.64
FLT1 P17948 1/20 0.64
FGFR3 P22607 1/20 0.64
TEK Q02763 1/20 0.64
PTGS1 P23219 3/20 0.63
BTK Q06187 2/20 0.60
KDM4E B2RXH2 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL2851320 0.85 BRAF (0.60) GAAMAPTL3MBTL1MAPK1TDP1
SCHEMBL22225314 0.85 PTGS1 (0.71) GAAMAPTRAB9AKDRPDGFRB
SCHEMBL2853263 0.84 GAA (0.66) GAAMAPTL3MBTL1MAPK1TDP1
SCHEMBL2855525 0.84 LCK (0.60) GAAMAPTL3MBTL1MAPK1TDP1
SCHEMBL2857312 0.82 CDK8 (0.79) GAAMAPTL3MBTL1MAPK1TDP1
SCHEMBL2851294 0.81 KDR (0.56) GAAMAPTL3MBTL1MAPK1TDP1
SCHEMBL6508815 0.81 ALDH1A1 (0.65) GAAMAPTL3MBTL1MAPK1TDP1
SCHEMBL2193786 0.81 PTGS1 (0.67) GAAMAPTRAB9AKDRPTGS1
SCHEMBL2855530 0.79 GAA (0.51) GAAMAPTL3MBTL1MAPK1TDP1
SCHEMBL12412290 0.79 MEN1 (0.71) MAPTL3MBTL1RAB9AKDRPDGFRB

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
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 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

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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 GAA 3803/4885MAPT 4439/4885L3MBTL1 3082/4885

“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.