SCHEMBL6921247

SCHEMBL6921247

COCCn1cnc2cc(-c3cccc(F)c3)cnc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
GLA P06280 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
GRIN2B Q13224 7/20 0.42
GRIN1 Q05586 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
EIF4EBP1 Q13541 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL9995159 0.83 GRM5 (0.44) ALDH1A1CYP1A2CYP3A4CLK4GLA
SCHEMBL6922237 0.76 KMT2A (0.49) ALDH1A1CYP1A2CYP3A4GLACYP2C19
SCHEMBL6922249 0.74 MAPT (0.46) ALDH1A1CYP1A2CYP3A4GLAHSD17B10
SCHEMBL3504325 0.73 MAOB (0.48) LMNARAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6922028 0.72 SLC2A1 (0.52) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL6922019 0.71 GRM2 (0.51) ALDH1A1CYP1A2CYP3A4CLK4HSD17B10
SCHEMBL12059746 0.68 GRK2 (0.50) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL31202900 0.68 MEN1 (0.61) HSD17B10LMNARAB9AGRIN2BMEN1
SCHEMBL21324397 0.67 JAK2 (0.50) ALDH1A1CYP1A2CYP3A4CLK4GLA
SCHEMBL12059005 0.67 ICMT (0.47) ALDH1A1LMNARAB9AEIF4EBP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 ALDH1A1 1721/4885CYP1A2 4540/4885CYP3A4 4447/4885

“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.