SCHEMBL2011565

SCHEMBL2011565

Oc1cccc(Nc2ccnc3cc(Cl)ccc23)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.73
MAPT P10636 2/20 0.73
ATM Q13315 1/20 0.73
PKMYT1 Q99640 1/20 0.67
RET P07949 1/20 0.65
FADS1 O60427 1/20 0.63
CYP2D6 P10635 8/20 0.61
CYP1A2 P05177 8/20 0.61
APP P05067 3/20 0.61
NR4A2 P43354 2/20 0.61
CYP2C8 P10632 5/20 0.57
CYP2C19 P33261 5/20 0.57
KCNH2 Q12809 5/20 0.57
CYP2C9 P11712 3/20 0.57
CYP3A4 P08684 3/20 0.57
ABCB11 O95342 1/20 0.57
CHRM2 P08172 1/20 0.57
HTR1A P08908 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD2 P14416 1/20 0.57

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
SCHEMBL30179800 1.00 GAA (0.73) GAAMAPTATMPKMYT1RET
Metaquine SCHEMBL7205743 0.90 FADS1 (0.71) GAAMAPTATMFADS1CYP2D6
SCHEMBL2012878 0.85 MAPT (1.00) GAAMAPTATMCYP2D6CYP1A2
SCHEMBL30362771 0.85 MAPT (1.00) GAAMAPTATMCYP2D6CYP1A2
SCHEMBL5309628 0.84 MAPT (0.74) GAAMAPTATMFADS1CYP2D6
SCHEMBL19633680 0.84 FADS1 (0.63) GAAMAPTATMFADS1CYP2D6
SCHEMBL12786925 0.84 PKMYT1 (0.67) GAAMAPTATMPKMYT1RET
SCHEMBL4751748 0.83 APP (0.70) GAAMAPTATMFADS1CYP2D6
SCHEMBL4882303 0.83 EGFR (0.69) PKMYT1RETFADS1GAKKMT2A
SCHEMBL21346925 0.82 CYP1A2 (0.66) GAAMAPTATMFADS1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9889131-B2 Cadherin-11 inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2018-02-13 US disclosed
US-20170360934-A1 USE OF CADHERIN-11 ANTAGONISTS TO TREAT OBESITY-ASSOCIATED CONDITIONS AND OTHER METABOLIC DISORDERS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-12-21 US disclosed
US-20160151363-A1 Cadherin-11 Inhibitors and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2016-06-02 US disclosed
US-9284368-B2 Substituted pyrazines as cadherin-11 inhibitors GEORGETOWN UNIVERSITY (US) 2016-03-15 US disclosed
US-20150064168-A1 Cadherin-11 Inhibitors and Methods of Use Thereof UNITED STATES GOVERNMENT 2015-03-05 US disclosed
US-8802687-B2 Cadherin-11 inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2014-08-12 US disclosed
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
US-20120128693-A1 CADHERIN-11 INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2012-05-24 US 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 (5 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-20150064168-A1 Cadherin-11 Inhibitors and Methods of Use Thereof CDH1, ICAM1, S100A11 GAA 4124/4885MAPT 1798/4885ATM 3268/4885
US-20160151363-A1 Cadherin-11 Inhibitors and Methods of Use Thereof CDH1, ICAM1, S100A11 GAA 4124/4885MAPT 1798/4885ATM 3268/4885
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 GAA 537/4885MAPT 20/4885ATM 2757/4885
US-20170360934-A1 USE OF CADHERIN-11 ANTAGONISTS TO TREAT OBESITY-ASSOCIATED CONDITIONS AND OTHER METABOLIC DISORDERS CDH1, GPR119, FABP4 GAA 1929/4885MAPT 1384/4885ATM 2300/4885
US-20120128693-A1 CADHERIN-11 INHIBITORS AND METHODS OF USE THEREOF CDH1, ICAM1, S100A11 GAA 4124/4885MAPT 1798/4885ATM 3268/4885

“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.