SCHEMBL2851297

SCHEMBL2851297

Cc1ccc(S(=O)(=O)N=c2ccc(Oc3cccc(NC(=O)c4cccc(C5(C#N)CC5)c4)c3)cn2CC(N)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
S1PR2 O95136 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
MAPT P10636 4/20 0.34
TP53 P04637 3/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 2/20 0.34
GCK P35557 2/20 0.34
P2RY2 P41231 1/20 0.34
GPR17 Q13304 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL2851293 1.00 BRAF (0.39) BRAFMEN1KMT2APOLBS1PR2
SCHEMBL2853933 0.85 BRAF (0.41) BRAFMEN1KMT2ACYP2C9
SCHEMBL2853934 0.85 BRAF (0.41) BRAFMEN1KMT2ACYP2C9
SCHEMBL2851212 0.84 MEN1 (0.46) BRAFMEN1KMT2APOLBMAPT
SCHEMBL2851210 0.84 MEN1 (0.46) BRAFMEN1KMT2APOLBMAPT
SCHEMBL4284146 0.79 POLB (0.37) BRAFMEN1KMT2APOLBS1PR2
SCHEMBL4284151 0.79 POLB (0.37) BRAFMEN1KMT2APOLBS1PR2
SCHEMBL4286172 0.78 KDR (0.49) BRAFMEN1KMT2APOLBMAPT
SCHEMBL4293267 0.78 CDK8 (0.38) MEN1KMT2APOLBS1PR2MAPT
SCHEMBL4293268 0.78 CDK8 (0.38) MEN1KMT2APOLBS1PR2MAPT

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 BRAF 1/4885MEN1 627/4885KMT2A 974/4885
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX BRAF 1364/4885MEN1 604/4885KMT2A 1404/4885

“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.