SCHEMBL13633116

SCHEMBL13633116

Cc1cnc2nc1Nc1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDR P35968 4/20 0.44
KIT P10721 1/20 0.44
FLT3 P36888 1/20 0.44
ALK Q9UM73 1/20 0.42
GRM5 P41594 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
GRIK1 P39086 2/20 0.41
ERN1 O75460 6/20 0.41
BRAF P15056 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
LCK P06239 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4356175 0.90 ALK (0.52) MEN1KMT2AKDRALKGRM5
SCHEMBL13633178 0.88 ALK (0.43) MEN1KMT2AALKTRPV1HTT
SCHEMBL13633117 0.85 ALK (0.48) ALK
SCHEMBL13633118 0.85 ALK (0.47) ALK
SCHEMBL13634074 0.84 ALK (0.41) MEN1KMT2AKDRALKBRAF
SCHEMBL13633047 0.84 ALK (0.45) ALKMAPTNPC1RAB9A
SCHEMBL13633043 0.84 ALK (0.44) ALK
SCHEMBL13633048 0.83 ALK (0.45) MEN1KMT2AALKMAPTNPC1
SCHEMBL13634077 0.83 ALK (0.46) ALK
SCHEMBL13633030 0.83 ALK (0.46) FLT3ALK

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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed

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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK MEN1 1321/4885KMT2A 382/4885KDR 492/4885

“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.