SCHEMBL2853903

SCHEMBL2853903

CC(=O)Nc1nc2ccc(Oc3ccc(Cl)c(NC(=O)c4cccc(C(C)(C)C#N)c4)c3)nc2s1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.48
KDR P35968 12/20 0.48
PIK3CA P42336 1/20 0.39
SMO Q99835 1/20 0.39
SCD O00767 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
SCHEMBL13185067 0.91 BRAF (0.45) BRAFKDRPIK3CASMOSCD
SCHEMBL2857387 0.86 KDR (0.52) BRAFKDR
SCHEMBL2849311 0.85 KDR (0.52) BRAFKDRPIK3CASMO
SCHEMBL2851596 0.85 KDR (0.56) BRAFKDRPIK3CASMOSCD
SCHEMBL2854022 0.84 KDR (0.47) BRAFKDR
SCHEMBL2860356 0.84 BRAF (0.49) BRAFKDR
SCHEMBL2851235 0.83 KDR (0.62) BRAFKDR
SCHEMBL2855455 0.82 KDR (0.45) BRAFKDR
SCHEMBL13184952 0.81 KDR (0.47) BRAFKDRPIK3CASMOSCD
SCHEMBL2857374 0.81 BRAF (0.53) 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 5 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-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 983/4885PIK3CA 198/4885

“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.