SCHEMBL6920401

SCHEMBL6920401

O=c1c2ccc(-c3cccc(F)c3)cc2nc2n1CC1(CCNCC1)C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.38
CYP2D6 P10635 3/20 0.38
ALOX15 P16050 1/20 0.38
TNKS2 Q9H2K2 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
OTUD7B Q6GQQ9 3/20 0.36
ALDH1A1 P00352 4/20 0.36
MAP4K3 Q8IVH8 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BCL2A1 Q16548 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A4 P08684 1/20 0.35
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
PLAT P00750 1/20 0.34

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
SCHEMBL6921852 0.85 GRM5 (0.40) USP2CYP2D6ALOX15
SCHEMBL6921810 0.83 HDAC3 (0.35) TNKS2OTUD7BALDH1A1PARP10PARP11
SCHEMBL6922292 0.81 RAB9A (0.38) USP2ALOX15TNKS2ALDH1A1CYP1A2
SCHEMBL6921870 0.80 RAB9A (0.40) TNKS2ALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL6921079 0.80 RAB9A (0.43) USP2ALOX15ALDH1A1CYP1A2HSD17B10
SCHEMBL6920814 0.79 NPC1 (0.37) USP2ALOX15ALDH1A1CYP1A2HSD17B10
SCHEMBL12059517 0.78 ALDH1A1 (0.37) USP2ALOX15TNKS2ALDH1A1CYP1A2
SCHEMBL12059799 0.78 BCL2A1 (0.39) USP2ALOX15TNKS2ALDH1A1CYP1A2
SCHEMBL6923183 0.77 RAB9A (0.35) OTUD7BALDH1A1CYP1A2BCL2A1CYP2C19
SCHEMBL6923330 0.74 KDM4E (0.58) USP2ALOX15ALDH1A1TP53CYP1A2

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 USP2 2061/4885CYP2D6 3733/4885ALOX15 919/4885

“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.