SCHEMBL2856068

SCHEMBL2856068

NC(=O)Cc1nc2ccc(Oc3ccc(F)c(N)c3F)nc2s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.35
ROCK2 O75116 1/20 0.34
ACACB O00763 11/20 0.34
ACACA Q13085 1/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CDK8 P49336 1/20 0.31
MAP4K4 O95819 1/20 0.31

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
SCHEMBL2856064 0.80 BRAF (0.44) BRAFRAB9A
SCHEMBL29261674 0.68 LMNA (0.44) ACACAMEN1ALDH1A1RAB9AL3MBTL1
SCHEMBL2858259 0.67 CLK1 (0.51) BRAFRAB9A
SCHEMBL2856446 0.65 DYRK1A (0.46) BRAFRAB9A
SCHEMBL14949680 0.63 MET (0.44) ALDH1A1RAB9AMAP4K4
SCHEMBL2853481 0.63 EPHX2 (0.41) BRAFMEN1ALDH1A1RAB9A
SCHEMBL2854440 0.63 ROCK2 (0.48) BRAFROCK2MEN1RAB9A
SCHEMBL2859799 0.63 ROCK2 (0.44) BRAFROCK2RAB9A
SCHEMBL1258338 0.63 BRAF (0.56) BRAFMEN1ALDH1A1RAB9A
SCHEMBL202304 0.62 NPC1 (0.39) MEN1RAB9A

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 1/4885ROCK2 402/4885ACACB 2707/4885

“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.