SCHEMBL2851402

SCHEMBL2851402

Nc1nc2ccc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cn2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.64
BRAF P15056 3/20 0.60
PDGFRB P09619 1/20 0.60
KIT P10721 1/20 0.60
FGFR1 P11362 1/20 0.60
PDGFRA P16234 1/20 0.60
FLT1 P17948 1/20 0.60
FGFR3 P22607 1/20 0.60
TEK Q02763 1/20 0.60
PTGS1 P23219 2/20 0.53
CDK8 P49336 1/20 0.49
KCNK3 O14649 2/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.48
BTK Q06187 2/20 0.48
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
LCK P06239 1/20 0.47

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
SCHEMBL4293320 0.87 KDR (0.50) KDRBRAFPDGFRBKITFGFR1
SCHEMBL2513777 0.85 KDR (0.76) KDRBRAFPDGFRBKITFGFR1
SCHEMBL2862560 0.84 KDR (0.56) KDRBRAFPDGFRBKITFGFR1
SCHEMBL2856102 0.84 KDR (0.68) KDRBRAFPDGFRBKITFGFR1
SCHEMBL2858588 0.81 KDR (0.50) KDRBRAFPDGFRBKITFLT1
SCHEMBL2519129 0.80 KDR (0.75) KDRBRAFPDGFRBKITFGFR1
SCHEMBL22225314 0.80 PTGS1 (0.71) KDRBRAFPDGFRBKITFGFR1
SCHEMBL3486263 0.80 KDR (0.84) KDRBRAFPDGFRBKITFGFR1
SCHEMBL13636172 0.79 KDR (0.61) KDRBRAFPDGFRBKITFGFR1
SCHEMBL2514277 0.79 KDR (0.83) KDRBRAFPDGFRBKITFGFR1

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 KDR 983/4885BRAF 1/4885PDGFRB 1509/4885
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX KDR 2311/4885BRAF 1364/4885PDGFRB 3323/4885

“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.