SCHEMBL12059016

SCHEMBL12059016

O=c1c2ccc(-c3cccc(F)c3)cc2nc2n1C(CO)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CTSD P07339 1/20 0.36
BCL2A1 Q16548 4/20 0.36
MAPK10 P53779 2/20 0.36
MAPK14 Q16539 2/20 0.36
BID P55957 1/20 0.36
GRM2 Q14416 1/20 0.35
GRIN2B Q13224 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
SCHEMBL6920491 0.87 L3MBTL1 (0.36) L3MBTL1CYP1A2CYP3A4GSK3AGSK3B
SCHEMBL12059514 0.87 BRD4 (0.38) L3MBTL1CYP1A2CYP3A4CTSDBCL2A1
SCHEMBL6921785 0.87 PIM1 (0.38) L3MBTL1CYP1A2CYP3A4CTSDBCL2A1
SCHEMBL6922145 0.85 GRM5 (0.39) L3MBTL1CCNE2CDK4PRKACAPRKACG
SCHEMBL6920638 0.81 RAB9A (0.38) L3MBTL1CYP1A2CYP3A4GSK3AGSK3B
SCHEMBL6921833 0.81 RAB9A (0.42) L3MBTL1CYP1A2CYP3A4
SCHEMBL6922383 0.80 L3MBTL1 (0.38) L3MBTL1CYP1A2CYP3A4GSK3AGSK3B
SCHEMBL6920325 0.78 NPC1 (0.39)
SCHEMBL6921125 0.77 RAB9A (0.40) L3MBTL1CYP1A2CYP3A4GSK3AGSK3B
SCHEMBL6920820 0.77 RAB9A (0.43) L3MBTL1CYP1A2CYP3A4

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 1 patent. 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

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 L3MBTL1 3622/4885CCNE2 4458/4885CDK4 1641/4885

“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.