SCHEMBL2851393

SCHEMBL2851393

CC(C)(C#N)c1cccc(C(=O)Nc2ccc(C(F)(F)F)c(Oc3ccc4nc(NC(=O)CCl)sc4n3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.48
KDR P35968 8/20 0.48
CYP2C9 P11712 4/20 0.40
STK10 O94804 1/20 0.40
ABL1 P00519 1/20 0.40
RET P07949 1/20 0.40
KIT P10721 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
CDK11B P21127 1/20 0.40
CDK2 P24941 1/20 0.40
FLT4 P35916 1/20 0.40
FLT3 P36888 1/20 0.40
CDK7 P50613 1/20 0.40
MAPK12 P53778 1/20 0.40
CDK3 Q00526 1/20 0.40
CDK5 Q00535 1/20 0.40
TEK Q02763 1/20 0.40
DDR1 Q08345 1/20 0.40
HIPK1 Q86Z02 1/20 0.40

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
SCHEMBL14331332 0.93 BRAF (0.41) BRAFKDRSTK10ABL1RET
SCHEMBL2861306 0.91 BRAF (0.50) BRAFKDRCYP2C9
SCHEMBL2851267 0.91 BRAF (0.50) BRAFKDRCYP2C9
SCHEMBL2854263 0.90 BRAF (0.50) BRAFKDRCYP2C9
SCHEMBL2853217 0.90 BRAF (0.49) BRAFKDRCYP2C9
SCHEMBL2861365 0.88 BRAF (0.46) BRAFKDRSTK10ABL1RET
SCHEMBL2857153 0.87 BRAF (0.59) BRAFKDRCYP2C9KITFLT1
SCHEMBL2855913 0.85 BTK (0.50) BRAFKDRABL1KITTEK
SCHEMBL2858471 0.84 BRAF (0.52) BRAFKDRCYP2C9
SCHEMBL2857396 0.84 BRAF (0.52) BRAFKDRCYP2C9

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 983/4885CYP2C9 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.