SCHEMBL6922020

SCHEMBL6922020

O=c1c2ncc(C#Cc3ccccn3)cc2nc2n1CCCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
NSD2 O96028 1/20 0.47
ALDH1A1 P00352 9/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
BCHE P06276 1/20 0.41
CFTR P13569 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL6923649 0.99 NPC1 (0.46) MEN1KMT2AHDAC6RAB9ANPC1
SCHEMBL6920811 0.87 NPC1 (0.57) MEN1KMT2AHDAC6RAB9ANPC1
SCHEMBL6920908 0.85 NPC1 (0.56) MEN1KMT2AHDAC6RAB9ANPC1
SCHEMBL2053447 0.84 GRM5 (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL14239419 0.84 GRM5 (0.35) RAB9ANPC1NSD2ALDH1A1SMN1; SMN2
SCHEMBL9994262 0.84 GRM5 (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL20755816 0.84 GRM5 (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL9994458 0.84 GRM5 (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL14239043 0.84 GRM5 (0.38) RAB9ANPC1NSD2ALDH1A1SMN1; SMN2
SCHEMBL14239094 0.84 POLB (0.34) RAB9ANPC1NSD2TDP1CYP1A2

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 12 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
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
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 MEN1 3947/4885KMT2A 944/4885HDAC6 360/4885
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 MEN1 3967/4885KMT2A 2776/4885HDAC6 451/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 MEN1 3947/4885KMT2A 944/4885HDAC6 360/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 MEN1 3947/4885KMT2A 944/4885HDAC6 360/4885

“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.