SCHEMBL2851100

SCHEMBL2851100

CC(=O)Nc1nc2cnc(N(C)c3ccc(F)c(N)c3)nc2s1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.42
KDR P35968 2/20 0.42
DYRK1A Q13627 8/20 0.41
CLK1 P49759 1/20 0.41
PDPK1 O15530 1/20 0.41
PIK3CA P42336 6/20 0.41
CYP3A4 P08684 2/20 0.40
AKT1 P31749 1/20 0.39
FSCN1 Q16658 1/20 0.38
PIK3CG P48736 2/20 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
SCHEMBL2858244 0.86 BRAF (0.48) BRAFKDRDYRK1APDPK1PIK3CA
SCHEMBL3510286 0.82 BRAF (0.42) BRAFKDRDYRK1APDPK1PIK3CA
SCHEMBL2858177 0.76 KDR (0.35) BRAFKDRPIK3CAPIK3CG
SCHEMBL2861355 0.75 BRAF (0.57) BRAFKDRPIK3CA
SCHEMBL2853575 0.75 BRAF (0.62) BRAFKDR
SCHEMBL13185059 0.74 BRAF (0.56) BRAFKDRPIK3CAAKT1
SCHEMBL2853884 0.73 KDR (0.63) BRAFKDRDYRK1APIK3CAAKT1
SCHEMBL13184956 0.73 BRAF (0.53) BRAFKDRPIK3CAAKT1
SCHEMBL2453176 0.73 BRAF (0.55) BRAFKDR
SCHEMBL2858187 0.72 MEN1 (0.46) BRAFKDR

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 1/4885KDR 983/4885DYRK1A 2109/4885

“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.