SCHEMBL6502392

SCHEMBL6502392

c1ccc2c(NN3CCCC3)n[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 10/20 0.52
MAPK8 P45983 7/20 0.52
ADRA2A P08913 2/20 0.47
TRPA1 O75762 1/20 0.46
KDM1A O60341 1/20 0.45
ACHE P22303 1/20 0.44
FADS1 O60427 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PDPK1 O15530 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
AURKA O14965 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
SCHEMBL17354952 0.80 AURKB (0.46) MAPK10MAPK8KDM1AKDM4EAURKA
SCHEMBL17354955 0.80 AURKB (0.46) MAPK10MAPK8KDM1AKDM4EAURKA
SCHEMBL8304928 0.78 ADRA2A (0.48) MAPK10MAPK8ADRA2ATRPA1ACHE
SCHEMBL10831286 0.73 KAT2B (0.54) MAPK10MAPK8ACHE
SCHEMBL11147779 0.73 KAT2B (0.54) MAPK10MAPK8ACHE
Hydrochloric Acid SCHEMBL10831715 0.72 KAT2B (0.53) MAPK10MAPK8ACHEKDM4E
SCHEMBL10831339 0.72 HRH3 (0.53) MAPK10MAPK8ACHE
SCHEMBL10831519 0.71 HRH3 (0.55) MAPK10MAPK8ACHE
SCHEMBL10831606 0.71 HRH3 (0.55) MAPK10MAPK8ACHE
SCHEMBL7172053 0.71 TRPA1 (0.54) MAPK10ADRA2ATRPA1FADS1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065186-A1 Heterocyclyloxy-, -thioxy-and-aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-03-24 US disclosed
US-6815456-B2 ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-11-09 US disclosed
EP-1385842-A1 HETEROCYCLYLOXY-, -THIOXY- AND -AMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2004-02-04 EP disclosed
US-20030069278-A1 Heterocyclyloxy-, -thioxy- and -aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-04-10 US disclosed
WO-2002085892-A1 HETEROCYCLYLOXY-, -THIOXY- AND -AMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-10-31 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 (2 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-20050065186-A1 Heterocyclyloxy-, -thioxy-and-aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A MAPK10 3544/4885MAPK8 2966/4885ADRA2A 164/4885
US-20030069278-A1 Heterocyclyloxy-, -thioxy- and -aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A MAPK10 3537/4885MAPK8 2938/4885ADRA2A 160/4885

“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.