SCHEMBL2015985

SCHEMBL2015985

COC(=O)c1cc(Nc2ccnc3cc(Cl)ccc23)cc(C(=O)OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 2/20 0.63
MAPT P10636 2/20 0.60
GAA P10253 2/20 0.60
ATM Q13315 1/20 0.60
CYP1A2 P05177 9/20 0.57
CYP2D6 P10635 8/20 0.57
APP P05067 3/20 0.53
RIPK2 O43353 1/20 0.51
COQ8A Q8NI60 1/20 0.51
NLK Q9UBE8 1/20 0.51
CYP2C19 P33261 6/20 0.50
KCNH2 Q12809 6/20 0.50
CYP2C8 P10632 5/20 0.50
CYP2C9 P11712 4/20 0.50
CYP3A4 P08684 4/20 0.50
NR4A2 P43354 2/20 0.50
ABCB11 O95342 2/20 0.50
CHRM2 P08172 2/20 0.50
CHRM1 P11229 2/20 0.50
SLC6A2 P23975 2/20 0.50

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
SCHEMBL9481225 0.90 MAPT (0.67) GAKMAPTGAAATMCYP1A2
Hydrochloric Acid SCHEMBL9481217 0.89 GAA (0.65) GAKMAPTGAAATMCYP1A2
SCHEMBL2012514 0.87 APP (0.59) GAKMAPTGAAATMCYP1A2
SCHEMBL2011014 0.86 CYP1A2 (0.67) GAKMAPTGAAATMCYP1A2
SCHEMBL2009445 0.80 APP (0.50) APPNR4A2KMT2ABACE1HRH3
SCHEMBL4751730 0.80 MAPT (0.70) GAKMAPTGAAATMCYP1A2
SCHEMBL4751350 0.80 CYP2D6 (0.58) GAKMAPTGAAATMCYP1A2
SCHEMBL21346889 0.80 MAPT (0.65) GAKMAPTGAAATMCYP1A2
SCHEMBL21346884 0.79 GAA (0.61) GAKMAPTGAAATMCYP1A2
SCHEMBL13582925 0.79 APP (0.60) GAKMAPTGAAATMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680095-B2 Heterocycle compounds and uses thereof for the prevention or treatment of diseases involving formation of amyloid plaques and/or where a dysfunction of the APP metabolism occurs INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-03-25 US disclosed
US-20120283256-A1 NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS UNIVERSITE LILLE 1 - SCIENCES ET TECHNOLOGIES (FR) 2012-11-08 US disclosed
EP-2513062-A1 7-CHLORO-QUINOLIN-4-AMINE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS Institut National de la Santé et de la Recherche Médicale (FR) 2012-10-24 EP disclosed
WO-2011073322-A1 7-CHLORO-QUINOLIN-4-AMINE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-23 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-20120283256-A1 NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS APP, BACE1, PSEN1 GAK 1870/4885MAPT 20/4885GAA 537/4885

“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.