SCHEMBL5055012

SCHEMBL5055012

CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cn(C(C)C)nc3-c3ccc4ocnc4c3)cc2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.44
BRAF P15056 9/20 0.43
MAPK13 O15264 3/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDR P35968 3/20 0.38
P2RX3 P56373 1/20 0.38

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
SCHEMBL5055062 0.92 NPC1 (0.39) MAPK14BRAFNPC1RAB9ASMN1; SMN2
SCHEMBL5052138 0.91 MAPK14 (0.55) MAPK14BRAFMAPK13KDR
SCHEMBL5060332 0.90 NPC1 (0.37) MAPK14BRAFNPC1RAB9ASMN1; SMN2
SCHEMBL5055302 0.89 MAPK14 (0.44) MAPK14BRAFMAPK13NPC1RAB9A
SCHEMBL5052191 0.87 RAF1 (0.49) MAPK14BRAFMAPK13KDR
SCHEMBL5054970 0.86 MAPK14 (0.43) MAPK14BRAFMAPK13KDRP2RX3
SCHEMBL5055197 0.85 MAPK14 (0.44) MAPK14BRAFMAPK13KDRP2RX3
SCHEMBL5056399 0.85 MAPK14 (0.44) MAPK14BRAFMAPK13KDRP2RX3
SCHEMBL5062035 0.84 ABL1 (0.46) MAPK14BRAFMAPK13NPC1KDR
SCHEMBL5062706 0.84 MAPK14 (0.46) MAPK14BRAFMAPK13KDR

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 MAPK14 100/4885BRAF 2/4885MAPK13 118/4885

“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.