SCHEMBL2853206

SCHEMBL2853206

CC(=O)Nc1nc2ccc(Oc3ccc(F)c(NC(=O)c4cccc(C(C)(C)C#N)c4Cl)c3)nc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.62
KDR P35968 11/20 0.62
PDGFRB P09619 2/20 0.49
KIT P10721 2/20 0.49
IKBKB O14920 1/20 0.49
RAF1 P04049 1/20 0.49
ERBB2 P04626 1/20 0.49
CDK1 P06493 1/20 0.49
SRC P12931 1/20 0.49
PDGFRA P16234 1/20 0.49
FGFR3 P22607 1/20 0.49
MAP2K1 Q02750 1/20 0.49
TEK Q02763 1/20 0.49
MAPK14 Q16539 1/20 0.49
AURKB Q96GD4 1/20 0.49
RIPK3 Q9Y572 5/20 0.37
RIPK1 Q13546 4/20 0.37
FLT1 P17948 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2857387 0.93 KDR (0.52) BRAFKDRPDGFRBKITIKBKB
SCHEMBL2856506 0.92 KDR (0.74) BRAFKDRPDGFRBKITIKBKB
SCHEMBL2860510 0.91 KDR (0.56) BRAFKDRPDGFRBKITIKBKB
SCHEMBL2864418 0.90 KDR (0.55) BRAFKDRPDGFRBKITIKBKB
SCHEMBL2858950 0.88 BRAF (0.74) BRAFKDRPDGFRBKITIKBKB
SCHEMBL2849273 0.88 KDR (0.53) BRAFKDRPDGFRBKITIKBKB
SCHEMBL2849311 0.87 KDR (0.52) BRAFKDRPDGFRBKITIKBKB
SCHEMBL15139576 0.86 BRAF (0.53) BRAFKDRPDGFRBKITIKBKB
SCHEMBL823625 0.85 BRAF (0.52) BRAFKDRPDGFRBKITIKBKB
SCHEMBL13354085 0.85 BRAF (0.62) BRAFKDRPDGFRBKITIKBKB

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 12 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-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
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
EP-2183316-A2 TREE RESISTANT INSULATION COMPOSITIONS General Cable Technologies Corporation (US) 2010-05-12 EP disclosed
WO-2009021050-A2 TREE RESISTANT INSULATION COMPOSITIONS GENERAL CABLE TECHNOLOGIES, CORP. (US) 2009-02-12 WO 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 983/4885PDGFRB 1509/4885

“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.