SCHEMBL2044946

SCHEMBL2044946

O=c1[nH]c(C2CCCN2)nc2cc(Br)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 15/20 0.60
PIM1 P11309 6/20 0.60
CSNK2B P67870 6/20 0.60
CSNK2A1 P68400 6/20 0.60
DYRK1A Q13627 3/20 0.47
CIT O14578 1/20 0.47
CYP1A2 P05177 1/20 0.47
CSNK2A2 P19784 1/20 0.47
GSK3B P49841 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
TAOK3 Q9H2K8 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.45
CCNE1 P24864 9/20 0.45
CDK2 P24941 9/20 0.45
ROCK1 Q13464 9/20 0.45
DBF4 Q9UBU7 9/20 0.45
CCNC P24863 2/20 0.42
CDK8 P49336 2/20 0.42
CLK1 P49759 2/20 0.42
DAPK1 P53355 2/20 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
SCHEMBL28013933 1.00 CDC7 (0.60) CDC7PIM1CSNK2BCSNK2A1DYRK1A
SCHEMBL17014444 0.90 CDC7 (0.64) CDC7PIM1CSNK2BCSNK2A1DYRK1A
SCHEMBL15586487 0.90 CDC7 (0.64) CDC7PIM1CSNK2BCSNK2A1DYRK1A
SCHEMBL12098828 0.81 SCN10A (0.55) CDC7PIM1CSNK2BCSNK2A1DYRK1A
SCHEMBL12098830 0.81 SCN10A (0.55) CDC7PIM1CSNK2BCSNK2A1DYRK1A
Hydrochloric Acid SCHEMBL16499352 0.80 SCN10A (0.54) CDC7PIM1CSNK2BCSNK2A1DYRK1A
SCHEMBL203888 0.79 SCN10A (0.66) CDC7PIM1CSNK2BCSNK2A1SCN10A
SCHEMBL2706817 0.79 SCN10A (0.66) CDC7PIM1CSNK2BCSNK2A1SCN10A
SCHEMBL14758479 0.79 CDC7 (0.48) CDC7PIM1CSNK2BCSNK2A1DYRK1A
SCHEMBL4558816 0.77 CDC7 (0.47) CDC7PIM1CSNK2BCSNK2A1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 US disclosed
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 US disclosed
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2018-09-18 US disclosed
CN-104725365-A Hepatitis c virus (HCV) inhibitor and application thereof NANJING SANHOME PHARMACEUTICAL CO LTD 2015-06-24 CN disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 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 (4 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 CDC7 4043/4885PIM1 4672/4885CSNK2B 2708/4885
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 CDC7 4279/4885PIM1 4847/4885CSNK2B 1398/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CDC7 4043/4885PIM1 4672/4885CSNK2B 2708/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CDC7 4043/4885PIM1 4672/4885CSNK2B 2708/4885

“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.