SCHEMBL6922667

SCHEMBL6922667

CC1(C)CCn2c(nc3nc(-c4ccccn4)ccc3c2=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALOX15 P16050 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 2/20 0.36
CCR1 P32246 2/20 0.36
HTT P42858 2/20 0.36
CCR5 P51681 2/20 0.36
CCR8 P51685 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALPL P05186 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
MAPK1 P28482 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 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
SCHEMBL6921080 0.83 KDM4E (0.35) KDM4ETDP1ALOX15L3MBTL1LMNA
SCHEMBL12059030 0.81 NPC1 (0.42) KDM4ETDP1ALOX15L3MBTL1LMNA
SCHEMBL6920872 0.81 GRM5 (0.43) NPC1RAB9AGRM5POLBKCNH2
SCHEMBL14238865 0.79 GABRA1 (0.37) TDP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL6922018 0.79 MEN1 (0.55) KDM4ETDP1ALOX15L3MBTL1LMNA
SCHEMBL14238894 0.78 BRD4 (0.32) KDM4ETDP1ALOX15L3MBTL1LMNA
SCHEMBL6923093 0.75 RAB9A (0.45) KDM4ETDP1ALOX15L3MBTL1LMNA
SCHEMBL6922638 0.74 PIK3CD (0.41) BRD4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6922846 0.73 RAB9A (0.45) KDM4ETDP1ALOX15L3MBTL1LMNA
SCHEMBL14238859 0.73 PDE5A (0.41) KDM4ETP53NPC1RAB9APIK3CD

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 KDM4E 2003/4885TDP1 1917/4885ALOX15 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.