SCHEMBL5052249

SCHEMBL5052249

Cn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc5c(c4)CCNC5)cc3)ccn2)cn1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.60
MAPK13 O15264 2/20 0.51
BRAF P15056 12/20 0.51
KDR P35968 2/20 0.51
MAPK14 Q16539 1/20 0.51
AXL P30530 1/20 0.51
SRC P12931 2/20 0.49
NTRK1 P04629 1/20 0.47
RET P07949 1/20 0.47
EPHB2 P29323 1/20 0.47
RAF1 P04049 1/20 0.46

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
SCHEMBL2030984 0.91 ABL1 (0.74) ABL1MAPK13BRAFKDRMAPK14
SCHEMBL30681075 0.91 ABL1 (0.74) ABL1MAPK13BRAFKDRMAPK14
SCHEMBL5055047 0.90 ABL1 (0.61) ABL1MAPK13BRAFMAPK14AXL
SCHEMBL5062414 0.90 KDR (0.50) ABL1BRAFKDRMAPK14AXL
SCHEMBL5055131 0.89 MAPK13 (0.52) ABL1MAPK13BRAFKDRMAPK14
SCHEMBL5052217 0.88 MAPK13 (0.53) ABL1MAPK13BRAFKDRMAPK14
SCHEMBL5052164 0.85 BRAF (0.61) ABL1MAPK13BRAFKDRMAPK14
SCHEMBL5055115 0.85 ABL1 (0.64) ABL1MAPK13BRAFMAPK14AXL
SCHEMBL5052111 0.85 MAPK13 (0.57) ABL1MAPK13BRAFKDRMAPK14
SCHEMBL2081834 0.84 ABL1 (0.82) ABL1MAPK13BRAFKDRMAPK14

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 ABL1 20/4885MAPK13 118/4885BRAF 2/4885

“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.