SCHEMBL6889809

SCHEMBL6889809

CN1C[C@@H]2C[C@H]1CN2c1ccc2nc(-c3cccc(Cl)c3)n(C)c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MAOB P27338 1/20 0.41
CHRNA7 P36544 3/20 0.39
KCNH2 Q12809 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PARG Q86W56 1/20 0.38
HRH4 Q9H3N8 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 0.91 CHRNA7 (0.41) KMT2ACHRNA7KCNH2L3MBTL1PARG
SCHEMBL6889831 0.90 PARG (0.46) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL6888187 0.89 CHRNA7 (0.41) CHRNA7KCNH2PIK3CDPIK3R1PARG
SCHEMBL11905096 0.86 PIK3CD (0.42) MEN1KMT2ACHRNA7KCNH2PIK3CD
SCHEMBL16103929 0.84 AVPR1A (0.45) AVPR1AMEN1KMT2AKDM4ELMNA
SCHEMBL11922355 0.84 AVPR1A (0.45) AVPR1AMEN1KMT2AKDM4ELMNA
SCHEMBL11905063 0.84 HRH4 (0.38) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL11905325 0.83 IDO1 (0.41) CHRNA7KCNH2PARG
SCHEMBL6889353 0.82 TDO2 (0.37) MEN1KMT2AKDM4ECHRNA7KCNH2
SCHEMBL17043898 0.81 PARG (0.42) CHRNA7KCNH2PARG

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 AVPR1A 125/4885MEN1 3191/4885KMT2A 1947/4885

“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.