SCHEMBL6887888

SCHEMBL6887888

Cn1c(-c2cccc(Cl)c2)nc2ccc(O)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
AVPR1A P37288 1/20 0.57
KDM4E B2RXH2 3/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
MAOB P27338 1/20 0.51
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
CASR P41180 1/20 0.44
AVPR1B P47901 3/20 0.43
GAA P10253 1/20 0.43
PARG Q86W56 1/20 0.43
ESRRB O95718 1/20 0.43
ESRRA P11474 1/20 0.43
COMT P21964 1/20 0.42
HPD P32754 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL31276870 0.81 KDM4E (0.70) MEN1KMT2AAVPR1AKDM4ELMNA
SCHEMBL1462891 0.78 ESR1 (0.58) MEN1KMT2ALMNAMAPTCASR
SCHEMBL3132060 0.78 AVPR1B (0.72) AVPR1AAVPR1B
SCHEMBL6889170 0.77 MEN1 (0.46) MEN1KMT2AAVPR1AKDM4ELMNA
SCHEMBL3137985 0.77 AVPR1B (0.57) AVPR1AAVPR1B
SCHEMBL16103929 0.76 AVPR1A (0.45) MEN1KMT2AAVPR1AKDM4ELMNA
SCHEMBL11922355 0.76 AVPR1A (0.45) MEN1KMT2AAVPR1AKDM4ELMNA
SCHEMBL1463588 0.76 KCNH2 (0.52) MEN1KMT2AAVPR1AKDM4ELMNA
SCHEMBL11098025 0.75 ALDH1A1 (0.53) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL1464587 0.75 EGFR (0.67) MEN1KMT2AKDM4ELMNAHTT

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

“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.