SCHEMBL5019506

SCHEMBL5019506

CC(C)[C@H](C)Nc1c(F)cnc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.51
MAPK14 Q16539 3/20 0.39
NUDT1 P36639 1/20 0.38
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GPR3 P46089 1/20 0.37
CACNA2D1 P54289 4/20 0.37
TNF P01375 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC2A1 P11166 1/20 0.35
ACP1 P24666 1/20 0.35

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
SCHEMBL14330949 0.87 LRRK2 (0.66) LRRK2NUDT1GALR3NR2F2KDM4E
SCHEMBL4569244 0.85 LRRK2 (0.49) LRRK2NUDT1GALR3NR2F2KDM4E
SCHEMBL4572175 0.82 LRRK2 (0.49) LRRK2MAPK14CACNA2D1MEN1NPC1
SCHEMBL29508371 0.81 LRRK2 (0.48) LRRK2GALR3NR2F2KDM4EGPR3
SCHEMBL14329106 0.81 LRRK2 (0.79) LRRK2
SCHEMBL29508380 0.76 MEN1 (0.44) LRRK2KDM4EMEN1MAPTRAB9A
SCHEMBL22749290 0.76 MEN1 (0.44) LRRK2KDM4EMEN1MAPTRAB9A
SCHEMBL22749289 0.76 MEN1 (0.44) LRRK2KDM4EMEN1MAPTRAB9A
SCHEMBL13064781 0.69 GPR3 (0.47) KDM4EGPR3MEN1MAPTRAB9A
SCHEMBL14330950 0.68 LRRK2 (1.00) LRRK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785454-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2014-07-22 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO 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-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LRRK2 706/4885MAPK14 272/4885NUDT1 576/4885

“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.