SCHEMBL2878451

SCHEMBL2878451

CC(=O)Nc1nc2cnc(Nc3cc(NC(=O)c4cccc(OC(F)(F)C(F)F)c4)ccc3C)nc2s1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.79
KDR P35968 7/20 0.79
TEK Q02763 2/20 0.47
SRC P12931 2/20 0.47
MAPK14 Q16539 2/20 0.47
LCK P06239 2/20 0.47
BTK Q06187 2/20 0.47
JAK2 O60674 1/20 0.47
EGFR P00533 1/20 0.47
IGF1R P08069 1/20 0.47
MET P08581 1/20 0.47
KIT P10721 1/20 0.47
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47
ZAP70 P43403 1/20 0.47
MAPK10 P53779 1/20 0.47
BMX P51813 3/20 0.43
ABL1 P00519 2/20 0.42

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
SCHEMBL2855524 0.93 BRAF (0.82) BRAFKDRTEKSRCMAPK14
SCHEMBL2853422 0.93 KDR (0.78) BRAFKDRSRCMAPK14LCK
SCHEMBL2851642 0.88 BRAF (1.00) BRAFKDRSRCMAPK14BMX
SCHEMBL2854256 0.82 BRAF (0.79) BRAFKDR
SCHEMBL2855450 0.81 BRAF (0.72) BRAFKDRSRCMAPK14BMX
SCHEMBL2851681 0.80 BRAF (0.79) BRAFKDREGFRKITBMX
SCHEMBL2851583 0.80 BRAF (1.00) BRAFKDRSRCMAPK14BMX
SCHEMBL2861968 0.80 BRAF (1.00) BRAFKDREGFRKITBMX
SCHEMBL2858175 0.79 KDR (0.64) BRAFKDRLCKBTKEGFR
SCHEMBL2858538 0.78 BRAF (0.70) BRAFKDRSRCMAPK14LCK

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 8 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-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US 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
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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 BRAF 1/4885KDR 983/4885TEK 3301/4885

“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.