SCHEMBL6889831

SCHEMBL6889831

CN1C[C@@H]2C[C@H]1CN2c1ccc2nc(-c3ccccc3)n(C)c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.46
KCNH2 Q12809 8/20 0.46
CHRNA7 P36544 4/20 0.46
PARP1 P09874 2/20 0.41
ADRA1A P35348 5/20 0.40
HRH3 Q9Y5N1 5/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6888444 0.93 CHRNA7 (0.41) PARGKCNH2CHRNA7PARP1ADRA1A
SCHEMBL11905325 0.91 IDO1 (0.41) PARGKCNH2CHRNA7ADRA1AHRH3
SCHEMBL6889809 0.90 AVPR1A (0.44) PARGKCNH2CHRNA7KDM4ELMNA
SCHEMBL6888187 0.90 CHRNA7 (0.41) PARGKCNH2CHRNA7IDO1TDO2
SCHEMBL11905096 0.88 PIK3CD (0.42) PARGKCNH2CHRNA7HRH3MEN1
SCHEMBL6888595 0.87 TDO2 (0.41) KCNH2CHRNA7PARP1IDO1TDO2
SCHEMBL17043898 0.86 PARG (0.42) PARGKCNH2CHRNA7PARP1IDO1
SCHEMBL11905452 0.86 PARG (0.42) PARGKCNH2CHRNA7PARP1IDO1
SCHEMBL6888663 0.83 JAK1 (0.39) KCNH2CHRNA7PARP1IDO1TDO2
SCHEMBL11923078 0.82 PARG (0.47) PARGKCNH2ADRA1AHRH3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 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-20120208796-A1 HETEROCYCLIC DERIVATIVES CHRNA5, CHRM5, CHRNA7 PARG 4565/4885KCNH2 728/4885CHRNA7 3/4885

“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.