SCHEMBL6887372

SCHEMBL6887372

Cn1c(-c2ccncc2)nc2ccc(N3CCN4CCC3CC4)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.47
KCNH2 Q12809 6/20 0.43
HRH3 Q9Y5N1 5/20 0.43
ADRA1A P35348 4/20 0.43
PARG Q86W56 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL6887461 0.92 CHRNA7 (0.48) CHRNA7KCNH2HRH3ADRA1APARG
SCHEMBL6889957 0.90 HRH3 (0.45) CHRNA7KCNH2HRH3ADRA1AALDH1A1
SCHEMBL6887525 0.87 CHRNA7 (0.42) CHRNA7KCNH2HRH3ADRA1APARG
SCHEMBL6888683 0.87 CHRNA7 (0.46) CHRNA7KCNH2HRH3ADRA1APARG
SCHEMBL6886460 0.85 CHRNA7 (0.52) CHRNA7KCNH2HRH3PARG
SCHEMBL6887469 0.84 CHRNA7 (0.43) CHRNA7KCNH2HRH3ADRA1APARG
SCHEMBL6888094 0.84 KDM4E (0.44) CHRNA7KCNH2HRH3ADRA1APARG
SCHEMBL6887435 0.84 CHRNA7 (0.43) CHRNA7KCNH2HRH3ADRA1APARG
SCHEMBL6886380 0.84 CHRNA7 (0.47) CHRNA7KCNH2HRH3ADRA1AALDH1A1
SCHEMBL11905133 0.82 CHRNA7 (0.41) CHRNA7KCNH2HRH3ADRA1A

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 9 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
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-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
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 CHRNA7 3/4885KCNH2 728/4885HRH3 159/4885

“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.