SCHEMBL1766247

SCHEMBL1766247

C[Sn](C)(C)c1ccnc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
IDO1 P14902 1/20 0.35
SYK P43405 1/20 0.32
MAP4K4 O95819 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
TNIK Q9UKE5 1/20 0.32
DYRK1A Q13627 2/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
MAPK1 P28482 1/20 0.31
ADORA2B P29275 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 1/20 0.30

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
SCHEMBL3044731 0.74 UHRF1 (0.52) MAP4K4DYRK1AKCNQ2NFATC1UHRF1
SCHEMBL2391922 0.73 RECQL (0.42) LOXL2IDO1MAPK13MAPK12MAPK11
SCHEMBL31401539 0.72 LOXL2 (0.47) LOXL2IDO1MAP4K4PARP10PARP11
SCHEMBL4049203 0.71 LOXL2 (0.38) LOXL2MAPK14
SCHEMBL11982 0.69
SCHEMBL12553822 0.69
SCHEMBL31701868 0.69
SCHEMBL21849250 0.68 ALDH1A1 (0.50) LOXL2IDO1MAPK1CYP3A4ALOX15
SCHEMBL29419408 0.68 ALDH1A1 (0.50) LOXL2IDO1MAPK1CYP3A4ALOX15
SCHEMBL22068158 0.67 IDO1 (0.55) LOXL2IDO1SYKMAP4K4MINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754220-B2 Quinolizidinone carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-06-17 US disclosed
EP-2501231-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-09-26 EP disclosed
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-09-13 US disclosed
WO-2011062853-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-05-26 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-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 LOXL2 4744/4885IDO1 2198/4885SYK 1406/4885

“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.