SCHEMBL6921025

SCHEMBL6921025

O=c1c2ccc(Br)cc2nc2n1CCN(Cc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
PKM P14618 1/20 0.52
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
USP2 O75604 6/20 0.48
HSD17B10 Q99714 5/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 7/20 0.45
MAPT P10636 5/20 0.45
GRM2 Q14416 3/20 0.45
LMNA P02545 2/20 0.45
ALOX12 P18054 2/20 0.45
GAA P10253 3/20 0.44
CLPP Q16740 2/20 0.44
ACHE P22303 3/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
APP P05067 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL6921560 0.83 NPC1 (0.41) ALDH1A1SMN1; SMN2PKMADORA2AADORA1
SCHEMBL6920986 0.81 GRM2 (0.44) ALDH1A1SMN1; SMN2PKMADORA2AADORA1
SCHEMBL6922267 0.81 GRM2 (0.48) ALDH1A1SMN1; SMN2PKMADORA2AADORA1
SCHEMBL12040659 0.81 NPC1 (0.40) ALDH1A1SMN1; SMN2PKMADORA2AADORA1
SCHEMBL6923721 0.81 NPC1 (0.40) ALDH1A1SMN1; SMN2PKMADORA2AADORA1
SCHEMBL6922766 0.80 ADORA2A (0.46) ALDH1A1ADORA2AADORA1KDM4EMAPT
SCHEMBL6921007 0.79 GRM2 (0.46) ALDH1A1SMN1; SMN2PKMADORA2AADORA1
SCHEMBL6922596 0.79 RXFP1 (0.50) ALDH1A1ADORA2AADORA1USP2HSD17B10
SCHEMBL6921793 0.77 RAB9A (0.43) ALDH1A1SMN1; SMN2PKMMAPTLMNA
SCHEMBL6921733 0.77 HRH4 (0.46) ALDH1A1SMN1; SMN2USP2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 ALDH1A1 1721/4885SMN1; SMN2 636/4885PKM 662/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 ALDH1A1 1721/4885SMN1; SMN2 636/4885PKM 662/4885

“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.