SCHEMBL2010540

SCHEMBL2010540

N#Cc1cc(N)cc(NCCN2CCCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.40
EGLN2 Q96KS0 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CACNA1B Q00975 2/20 0.37
POLB P06746 2/20 0.37
GFER P55789 1/20 0.37
CACNA1H O95180 1/20 0.37
MAP4K4 O95819 1/20 0.37
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CCR3 P51677 1/20 0.36
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4233973 0.78 CACNA1B (0.55) HRH3EGLN2ALDH1A1KDM4EHPGD
SCHEMBL4804050 0.72 ALDH1A1 (0.50) HRH3ALDH1A1NPSR1GAAL3MBTL1
SCHEMBL4199194 0.72 HTR7 (0.48) ALDH1A1GAAL3MBTL1POLBMEN1
SCHEMBL2259794 0.71 ALDH1A1 (0.47) ALDH1A1GAAL3MBTL1MAP4K4
SCHEMBL246613 0.70 ALDH1A1 (0.47) HRH3ALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL4809872 0.69 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1MAP4K4
SCHEMBL30608960 0.69 MAP4K4 (0.50) ALDH1A1MAP4K4MAPT
SCHEMBL16583873 0.69 SIGMAR1 (0.45) HRH3MEN1KMT2A
SCHEMBL15558029 0.67 MAPK1 (0.47) ALDH1A1KDM4EGAAL3MBTL1MAP4K4
SCHEMBL4781715 0.66 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10NPSR1GAA

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 HRH3 1888/4885EGLN2 1150/4885ALDH1A1 1615/4885

“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.