SCHEMBL4572175

SCHEMBL4572175

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.49
SLC2A1 P11166 1/20 0.46
CACNA2D1 P54289 8/20 0.45
ELANE P08246 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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 0.84 LRRK2 (0.66) LRRK2SLC2A1CACNA2D1ELANEMEN1
SCHEMBL5019506 0.82 LRRK2 (0.51) LRRK2SLC2A1CACNA2D1MEN1NPC1
SCHEMBL4572179 0.82 LRRK2 (0.75) LRRK2SLC2A1CACNA2D1ELANEMEN1
SCHEMBL4569244 0.79 LRRK2 (0.49) LRRK2ALDH1A1
SCHEMBL13283199 0.71 GALR3 (0.63) LRRK2MEN1NPC1RAB9AKMT2A
SCHEMBL4572178 0.71 GALR3 (0.63) LRRK2MEN1NPC1RAB9AKMT2A
SCHEMBL18450336 0.70 TNF (0.64)
SCHEMBL9380148 0.70 LRRK2 (0.45) LRRK2SLC2A1CACNA2D1MEN1RAB9A
SCHEMBL2088256 0.70 LRRK2 (0.45) LRRK2SLC2A1CACNA2D1MEN1RAB9A
SCHEMBL10586868 0.70 LRRK2 (0.45) LRRK2SLC2A1CACNA2D1MEN1KMT2A

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-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 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-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LRRK2 549/4885SLC2A1 3358/4885CACNA2D1 2724/4885

“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.