SCHEMBL5055064

SCHEMBL5055064

CC(C)Nc1cc(Oc2ccc(NC(=O)Nc3cn(C(C)C)nc3-c3ccc4ncccc4c3)cc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.46
AXL P30530 2/20 0.46
SRC P12931 5/20 0.44
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
BRAF P15056 6/20 0.38
KDR P35968 6/20 0.38
MAPK14 Q16539 3/20 0.38
CLK1 P49759 3/20 0.38
PDGFRA P16234 2/20 0.38
PLK4 O00444 1/20 0.38
ACOX3 O15254 1/20 0.38
MAP3K7 O43318 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
ERN1 O75460 1/20 0.38
RPS6KA4 O75676 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
SCHEMBL5062035 0.92 ABL1 (0.46) ABL1AXLSRCMAPTNPC1
SCHEMBL5062357 0.91 MAPK14 (0.47) ABL1AXLSRCBRAFKDR
SCHEMBL5056510 0.90 ABL1 (0.44) ABL1AXLSRCMAPTNPC1
SCHEMBL5052156 0.89 ABL1 (0.44) ABL1AXLSRCBRAFKDR
SCHEMBL5052136 0.87 RAF1 (0.51) ABL1AXLSRCMEN1KMT2A
SCHEMBL5055058 0.87 IMPDH2 (0.40) BRAFKDRMAPK14RAF1TNNI3K
SCHEMBL5054508 0.85 KDR (0.37) BRAFKDRMAPK14RAF1TNNI3K
SCHEMBL5056313 0.85 FDPS (0.40) SRCNPC1MEN1KMT2ABRAF
SCHEMBL5052271 0.84 KDR (0.52) ABL1AXLSRCKDRPDGFRA
SCHEMBL5054888 0.84 KDR (0.44) ABL1AXLSRCKDRFLT1

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 20/4885AXL 117/4885SRC 69/4885

“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.