SCHEMBL6921163

SCHEMBL6921163

O=c1[nH]cnc2cc(-c3cccc(F)c3)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 7/20 0.59
EPHB4 P54760 5/20 0.59
KDR P35968 4/20 0.59
PARP1 P09874 7/20 0.56
EGFR P00533 1/20 0.54
PDGFRB P09619 1/20 0.54
KIT P10721 1/20 0.54
FGFR1 P11362 1/20 0.54
FLT1 P17948 1/20 0.54
ALDH1A1 P00352 1/20 0.53
CHEK1 O14757 1/20 0.53
PIM1 P11309 1/20 0.53
RPS6KA3 P51812 1/20 0.53
MAPKAPK2 P49137 1/20 0.51
PDPK1 O15530 2/20 0.50
TNKS2 Q9H2K2 2/20 0.50
CA12 O43570 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL6922381 0.88 PARP1 (0.63) TEKEPHB4KDRPARP1EGFR
SCHEMBL12476626 0.86 PARP1 (0.62) TEKEPHB4KDRPARP1EGFR
SCHEMBL24819 0.82 PARP1 (0.74) TEKEPHB4KDRPARP1EGFR
SCHEMBL29967106 0.82 PARP1 (0.74) TEKEPHB4KDRPARP1EGFR
SCHEMBL2047492 0.79 IP6K1 (0.59) TEKEPHB4KDRPARP1ALDH1A1
SCHEMBL28223920 0.78 PARP1 (0.54) TEKEPHB4KDRPARP1EGFR
SCHEMBL28624352 0.77 NOD1 (0.56) TEKEPHB4KDRPARP1MAPKAPK2
SCHEMBL13266881 0.76 PARP1 (0.55) TEKEPHB4KDRPARP1EGFR
SCHEMBL28128312 0.75 PARP1 (0.59) PARP1PIM1MAPKAPK2PDPK1TNKS2
SCHEMBL23227938 0.75 QPCT (0.60) ALDH1A1SMN1; 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 TEK 2646/4885EPHB4 1362/4885KDR 3370/4885

“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.