SCHEMBL23768327

SCHEMBL23768327

CNc1ccc(OC2CCOC2)nn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.37
GRM5 P41594 4/20 0.36
ACACB O00763 1/20 0.35
CSF1R P07333 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
PDE4A P27815 4/20 0.34
PDE4B Q07343 4/20 0.34
PDE4C Q08493 4/20 0.34
PDE4D Q08499 4/20 0.34
KAT2B Q92831 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
KRAS P01116 1/20 0.33
SOS1 Q07889 1/20 0.33
SRC P12931 1/20 0.33
POLQ O75417 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL23768328 0.85 SOS1 (0.38) LRRK2GRM5ACACBPDE4DKRAS
SCHEMBL21017066 0.85 LRRK2 (0.35) LRRK2GRM5ACACBMAPK8MAPK9
SCHEMBL22663453 0.82 CSF1R (0.41) CSF1R
SCHEMBL3298483 0.77 LRRK2 (0.39) LRRK2ACACBPDE4APDE4BPDE4C
SCHEMBL3298479 0.77 LRRK2 (0.39) LRRK2ACACBPDE4APDE4BPDE4C
SCHEMBL3302593 0.77 LRRK2 (0.39) LRRK2ACACBPDE4APDE4BPDE4C
SCHEMBL28707595 0.75 EGFR (0.43) LRRK2GRM5ACACBKRASSOS1
SCHEMBL29318303 0.75 GRM5 (0.47) LRRK2GRM5ACACBCSF1R
SCHEMBL23530040 0.73 SLC5A2 (0.42) LRRK2ACACBPDE4APDE4BPDE4C
SCHEMBL13750591 0.70 PDE9A (0.43) LRRK2KAT2BBAZ2B

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-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2021-08-19 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-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 LRRK2 681/4885GRM5 3847/4885ACACB 4458/4885

“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.