SCHEMBL2857161

SCHEMBL2857161

CCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.56
CYP2C9 P11712 5/20 0.56

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
SCHEMBL2196658 0.86 BRAF (0.66) BRAFCYP2C9
SCHEMBL2856180 0.85 BRAF (0.61) BRAFCYP2C9
SCHEMBL2851835 0.85 BRAF (0.57) BRAFCYP2C9
SCHEMBL2194016 0.83 BRAF (0.59) BRAFCYP2C9
SCHEMBL2855416 0.83 BRAF (0.55) BRAFCYP2C9
SCHEMBL827485 0.82 MEN1 (0.62) BRAFCYP2C9
SCHEMBL14819854 0.81 BRAF (0.69) BRAFCYP2C9
SCHEMBL2849205 0.80 BRAF (0.69) BRAFCYP2C9
SCHEMBL5004766 0.80 BRAF (0.59) BRAFCYP2C9
SCHEMBL2852440 0.79 PTGS1 (0.67) BRAFCYP2C9

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 1/4885CYP2C9 2054/4885

“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.