SCHEMBL6921077

SCHEMBL6921077

COC(=O)c1cnc2cc(-c3cccc(F)c3)ccn2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 3/20 0.49
GLA P06280 1/20 0.49
PKM P14618 3/20 0.45
KDR P35968 6/20 0.44
FGFR3 P22607 5/20 0.44
FLT3 P36888 3/20 0.43
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CSNK1D P48730 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
NTRK2 Q16620 1/20 0.40

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
SCHEMBL12059630 0.86 KDM4E (0.59) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL12059620 0.85 GAA (0.45) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL2054143 0.84 KDM4E (0.47) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6921882 0.84 KDM4E (0.46) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6922096 0.78 FLT3 (0.44) ALDH1A1GLAKDRFGFR3FLT3
SCHEMBL12059399 0.78 FLT3 (0.45) KDM4EALDH1A1GAAPKMKDR
SCHEMBL2053789 0.77 KDM4E (0.56) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6923816 0.77 FLT3 (0.47) KDRFGFR3FLT3THRB
SCHEMBL6920749 0.76 FLT3 (0.42) ALDH1A1GLAKDRFGFR3FLT3
SCHEMBL6922127 0.76 FLT3 (0.45) KDRFGFR3FLT3

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 KDM4E 2003/4885ALDH1A1 1721/4885GAA 1294/4885

“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.