SCHEMBL5055028

SCHEMBL5055028

CNc1ncc2cc(-c3ccc(F)c(NC(=O)Nc4cc(C(C)C)nn4-c4cccc(C#N)c4)c3)c(=O)n(C3CCCC3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.39
KRAS P01116 3/20 0.39
RAF1 P04049 3/20 0.39
KDR P35968 3/20 0.39
MAP2K2 P36507 2/20 0.39
MAP2K1 Q02750 2/20 0.39
PIK3CA P42336 7/20 0.37
MTOR P42345 2/20 0.37
KCNJ6 P48051 2/20 0.37
KCNJ5 P48544 2/20 0.37
KCNJ3 P48549 2/20 0.37
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
CDK6 Q00534 2/20 0.35
CCNA2 P20248 2/20 0.35

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
SCHEMBL5052335 0.93 BRAF (0.40) BRAFKRASRAF1KDRMAP2K2
SCHEMBL5052353 0.92 KCNJ6 (0.42) BRAFKRASRAF1KDRMAP2K2
SCHEMBL5054520 0.91 KCNJ6 (0.45) BRAFKRASRAF1KDRMAP2K2
SCHEMBL5056272 0.90 BRAF (0.39) BRAFKRASRAF1KDRMAP2K2
SCHEMBL5052301 0.90 BRAF (0.40) BRAFKRASRAF1KDRMAP2K2
SCHEMBL5054894 0.89 BRAF (0.42) BRAFKRASRAF1KDRMAP2K2
SCHEMBL5052263 0.89 KCNJ6 (0.39) BRAFKRASRAF1KDRMAP2K2
SCHEMBL5052314 0.89 BRAF (0.41) BRAFKRASRAF1KDRMAP2K2
SCHEMBL5056347 0.85 BRAF (0.39) BRAFKRASRAF1KDRMAP2K2
SCHEMBL5062804 0.82 BRAF (0.43) BRAFKRASRAF1KDRMAP2K2

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 2/4885KRAS 111/4885RAF1 55/4885

“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.