SCHEMBL6920715

SCHEMBL6920715

O=c1c2ccc(Br)cc2ncn1C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.48
HCAR1 Q9BXC0 5/20 0.46
HSD17B10 Q99714 3/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
SLC2A1 P11166 1/20 0.42
HPGD P15428 1/20 0.40
AURKA O14965 1/20 0.39
JAK2 O60674 1/20 0.39
PRKCA P17252 1/20 0.39
JAK1 P23458 1/20 0.39
KDR P35968 1/20 0.39
JAK3 P52333 1/20 0.39
TP53 P04637 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL25151753 0.99 ACVR1 (0.50) ACVR1HCAR1HSD17B10GAAALDH1A1
SCHEMBL14681560 0.87 ACVR1 (0.59) ACVR1HCAR1HSD17B10GAAALDH1A1
SCHEMBL30169553 0.87 HTT (0.40) ACVR1HCAR1SLC2A1JAK1KMT2A
SCHEMBL26170022 0.87 HTT (0.40) ACVR1HCAR1SLC2A1JAK1KMT2A
SCHEMBL28519351 0.87 IRAK4 (0.38) ACVR1HCAR1SLC2A1JAK1KMT2A
SCHEMBL31241021 0.82 ACVR1 (0.50) ACVR1HCAR1KMT2AMEN1LMNA
SCHEMBL25151871 0.81 ACVR1 (0.49) ACVR1HCAR1HSD17B10GAAALDH1A1
SCHEMBL25151758 0.81 ACVR1 (0.49) ACVR1HCAR1HSD17B10GAAALDH1A1
SCHEMBL25151867 0.81 ACVR1 (0.49) ACVR1HCAR1HSD17B10GAAALDH1A1
SCHEMBL25151865 0.81 ACVR1 (0.49) ACVR1HCAR1HSD17B10GAAALDH1A1

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 5 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
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 (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-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 ACVR1 4208/4885HCAR1 120/4885HSD17B10 2253/4885

“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.