SCHEMBL2856064

SCHEMBL2856064

CC(=O)Nc1nc2ccc(Oc3ccc(F)c(N)c3F)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.44
DYRK1A Q13627 12/20 0.44
PDPK1 O15530 1/20 0.44
CLK1 P49759 1/20 0.41
FSCN1 Q16658 1/20 0.41
CYP3A4 P08684 3/20 0.40
NPC1 O15118 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CG P48736 4/20 0.39
PIK3CA P42336 4/20 0.39
PIK3CB P42338 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL2858259 0.86 CLK1 (0.51) BRAFDYRK1APDPK1CLK1FSCN1
SCHEMBL2856446 0.84 DYRK1A (0.46) BRAFDYRK1APDPK1CLK1FSCN1
SCHEMBL2855636 0.82 BRAF (0.54) BRAFDYRK1APDPK1CLK1FSCN1
SCHEMBL2859799 0.81 ROCK2 (0.44) BRAFDYRK1APDPK1CLK1FSCN1
SCHEMBL2856068 0.80 BRAF (0.35) BRAFRAB9A
SCHEMBL2851274 0.80 BRAF (0.45) BRAFDYRK1APDPK1FSCN1CYP3A4
SCHEMBL2862242 0.78 BRAF (0.47) BRAFDYRK1APDPK1FSCN1CYP3A4
SCHEMBL3512217 0.76 BRAF (0.46) BRAFDYRK1APDPK1FSCN1CYP3A4
SCHEMBL2851409 0.76 BRAF (0.62) BRAFDYRK1APDPK1FSCN1CYP3A4
SCHEMBL2861454 0.74 BRAF (0.45) BRAFDYRK1APDPK1FSCN1CYP3A4

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 BRAF 1/4885DYRK1A 2109/4885PDPK1 449/4885

“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.