SCHEMBL6922781

SCHEMBL6922781

O=c1c(CCO)cnc2cc(-c3ccc(F)cc3)ccn12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.51
KDR P35968 6/20 0.45
FGFR3 P22607 5/20 0.45
KCNH2 Q12809 1/20 0.38
GRM2 Q14416 1/20 0.38
GRIN2B Q13224 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TGFBR1 P36897 1/20 0.35

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
SCHEMBL6922604 0.88 FLT3 (0.43) FLT3KDRFGFR3GRM2GRIN2B
SCHEMBL14161892 0.85 FLT3 (0.49) FLT3KDRFGFR3KCNH2GRM2
SCHEMBL6921743 0.84 FLT3 (0.53) FLT3KDRFGFR3GRIN2BALDH1A1
SCHEMBL12042167 0.82 GRM5 (0.41) FLT3KDRFGFR3NPC1ALDH1A1
SCHEMBL6922815 0.78 KDR (0.44) KDRFGFR3NPC1ALDH1A1RAB9A
SCHEMBL6922630 0.78 KDM4E (0.39) KDRFGFR3NPC1ALDH1A1RAB9A
SCHEMBL12059189 0.78 FLT3 (0.45) FLT3KDRFGFR3GRM2GRIN2B
SCHEMBL6922507 0.76 FLT3 (0.43) FLT3KDRFGFR3GRM2GRIN2B
SCHEMBL6921936 0.76 FLT3 (0.44) FLT3KDRFGFR3GRM2GRIN2B
SCHEMBL6921226 0.75 GRM5 (0.42)

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 FLT3 2845/4885KDR 3370/4885FGFR3 894/4885

“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.