SCHEMBL5056409

SCHEMBL5056409

CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(-c4cn[nH]c4)c3)cc2)n(-c2ccc3ncncc3c2)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.57
SRC P12931 4/20 0.57
AXL P30530 2/20 0.48
BRAF P15056 4/20 0.46
RAF1 P04049 3/20 0.42
FLT3 P36888 1/20 0.42
MAPK13 O15264 3/20 0.41
MAPK14 Q16539 4/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
KDR P35968 4/20 0.40
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
SYK P43405 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
SCHEMBL5060252 0.91 ABL1 (0.59) ABL1SRCAXLBRAFRAF1
SCHEMBL5054974 0.91 BRAF (0.49) ABL1SRCAXLBRAFFLT3
SCHEMBL5055170 0.90 ABL1 (0.72) ABL1SRCAXLBRAFRAF1
SCHEMBL5052224 0.88 ABL1 (0.56) ABL1SRCAXLBRAFRAF1
SCHEMBL5055072 0.88 MAPK14 (0.48) ABL1SRCAXLBRAFFLT3
SCHEMBL5054987 0.86 BRAF (0.46) ABL1SRCAXLBRAFRAF1
SCHEMBL5060263 0.86 BRAF (0.47) ABL1SRCAXLBRAFRAF1
SCHEMBL5060321 0.85 BRAF (0.47) ABL1SRCAXLBRAFRAF1
SCHEMBL5059942 0.85 ABL1 (0.60) ABL1SRCAXLBRAFRAF1
SCHEMBL5056544 0.85 ABL1 (0.60) ABL1SRCAXLBRAFRAF1

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 20/4885SRC 69/4885AXL 117/4885

“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.