SCHEMBL20989129

SCHEMBL20989129

CC1(C)CCc2nc3cc(CCc4cc(C#N)ccn4)ccc3c(=O)n2C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
CCNC P24863 6/20 0.36
CDK8 P49336 6/20 0.36
CDK19 Q9BWU1 3/20 0.36
MAP4K2 Q12851 1/20 0.35
HASPIN Q8TF76 1/20 0.35
MAPK1 P28482 1/20 0.34
RAB9A P51151 3/20 0.34
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL6922880 0.85 GRM2 (0.42) L3MBTL1TDP1KDM4EALDH1A1KMT2A
SCHEMBL14239922 0.82 USP30 (0.41) L3MBTL1TDP1KDM4EALDH1A1KMT2A
SCHEMBL14239049 0.81 TDP1 (0.41) L3MBTL1TDP1KDM4EALDH1A1KMT2A
SCHEMBL14239848 0.80 NPC1 (0.41) L3MBTL1TDP1KDM4EALDH1A1KMT2A
SCHEMBL14239823 0.79 TDP1 (0.38) L3MBTL1TDP1KDM4EALDH1A1KMT2A
SCHEMBL15816798 0.79 TDP1 (0.38) L3MBTL1TDP1KDM4EALDH1A1KMT2A
SCHEMBL14239047 0.77 TDP1 (0.48) L3MBTL1TDP1KDM4EALDH1A1KMT2A
SCHEMBL14238834 0.77 TDP1 (0.48) L3MBTL1TDP1KDM4EALDH1A1KMT2A
SCHEMBL14239370 0.77 MAPK1 (0.41) L3MBTL1ALDH1A1KMT2AMAPK1RAB9A
SCHEMBL14239838 0.77 MAPK1 (0.43) L3MBTL1ALDH1A1KMT2AMAPK1RAB9A

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-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-05-09 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-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 L3MBTL1 3852/4885TDP1 3830/4885KDM4E 2910/4885

“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.