SCHEMBL6923220

SCHEMBL6923220

CC1Cc2nc3cc(-c4ccccn4)cnc3c(=O)n2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
TGFBR1 P36897 1/20 0.35
METAP2 P50579 2/20 0.35
CNR2 P34972 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
ALOX5AP P20292 1/20 0.34
SYK P43405 2/20 0.34
TNKS O95271 1/20 0.33
FLT3 P36888 1/20 0.33
AURKB Q96GD4 1/20 0.33
CYP2A6 P11509 1/20 0.33
USP30 Q70CQ3 3/20 0.32
CYP3A4 P08684 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL14239107 0.89 USP30 (0.35) MAPTTGFBR1METAP2CNR2CHRNB2
SCHEMBL14239113 0.89 LMNA (0.39) MAPTTGFBR1METAP2CNR2TNKS
SCHEMBL14239116 0.88 NPC1 (0.36) MAPTTGFBR1METAP2CNR2CHRNB2
SCHEMBL14239109 0.88 CNR2 (0.37) MAPTTGFBR1METAP2CNR2SYK
SCHEMBL6920430 0.86 CYP3A4 (0.40) MAPTTGFBR1METAP2CHRNB2CHRNB4
SCHEMBL14239316 0.84 METAP2 (0.39) MAPTTGFBR1METAP2CNR2CHRNB2
SCHEMBL14239112 0.82 METAP2 (0.35) MAPTTGFBR1METAP2SYKFLT3
SCHEMBL6922373 0.82 MAPT (0.37) MAPTTGFBR1METAP2CNR2USP30
SCHEMBL14238857 0.81 METAP2 (0.34) MAPTTGFBR1METAP2CNR2CHRNB2
SCHEMBL14238856 0.81 METAP2 (0.34) TGFBR1METAP2CNR2SYKTNKS

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 MAPT 298/4885TGFBR1 3543/4885METAP2 2203/4885

“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.