SCHEMBL5056401

SCHEMBL5056401

CNc1ncc2cc(-c3ccc(F)c(NC(=O)Nc4cnc(C(C)C)nc4-c4cccc(F)c4)c3)c(=O)n(C(C)C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.40
RAF1 P04049 6/20 0.40
KRAS P01116 5/20 0.40
KDR P35968 5/20 0.40
MAP2K2 P36507 2/20 0.38
MAP2K1 Q02750 2/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
GAK O14976 1/20 0.36
ABL1 P00519 1/20 0.36
EPHA1 P21709 1/20 0.36
EPHA2 P29317 1/20 0.36
EPHA3 P29320 1/20 0.36
EPHB2 P29323 1/20 0.36
MAPK8 P45983 1/20 0.36
EPHB3 P54753 1/20 0.36
EPHB4 P54760 1/20 0.36

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
SCHEMBL5062082 0.91 BRAF (0.43) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5055347 0.90 BRAF (0.41) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5056310 0.88 BRAF (0.40) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5056308 0.85 BRAF (0.42) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5054958 0.84 SRC (0.43) BRAFRAF1ABL1SIK2EGFR
SCHEMBL4276391 0.84 BRAF (0.46) BRAFRAF1KRASKDRMAP2K2
SCHEMBL4430448 0.83 BRAF (0.44) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5067015 0.82 BRAF (0.46) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5052297 0.82 KCNJ6 (0.46) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5056276 0.82 BRAF (0.42) BRAFRAF1KRASKDRMAP2K2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US claimed

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-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 BRAF 2/4885RAF1 55/4885KRAS 111/4885

“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.