SCHEMBL9106898

SCHEMBL9106898

COc1ccc(-c2n[c]sn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.48
MAPT P10636 5/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 2/20 0.47
APP P05067 1/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
XDH P47989 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ESR2 Q92731 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL20420869 0.72 CLK4 (0.55) CLK4MAPTKDM4ETP53APP
SCHEMBL22112581 0.71 MAPT (0.75) CLK4MAPTKDM4ETP53APP
SCHEMBL338452 0.71 CLK4 (0.64) CLK4MAPTKDM4ETP53APP
SCHEMBL1081383 0.70 LTA4H (0.46) MAPTKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL15896952 0.69 CLK4 (0.61) CLK4MAPTKDM4ETP53NPC1
SCHEMBL2876553 0.69 CLK4 (0.61) CLK4MAPTKDM4ETP53NPC1
SCHEMBL6733562 0.67 CA1 (0.79) CLK4MAPTKDM4ETP53APP
SCHEMBL9151672 0.67 CA1 (0.79) CLK4MAPTKDM4ETP53APP
SCHEMBL197522 0.67 CA1 (0.79) CLK4MAPTKDM4ETP53APP
SCHEMBL570816 0.67 CLK4 (0.48) CLK4MAPTKDM4ETP53NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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 (2 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CLK4 3096/4885MAPT 3944/4885KDM4E 2973/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CLK4 2231/4885MAPT 4057/4885KDM4E 2527/4885

“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.