SCHEMBL6886583

SCHEMBL6886583

CO[C@H]1CC[C@H](Nc2ncc(-c3ccccc3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
GBA1 P04062 1/20 0.48
MAPK3 P27361 1/20 0.47
MAPK8 P45983 13/20 0.46
MAPK9 P45984 6/20 0.46
RET P07949 1/20 0.45
MAPK1 P28482 1/20 0.43
PIM1 P11309 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL6885645 0.83 GRM5 (0.48) GBA1MAPK1ADORA2AADORA2BADORA1
SCHEMBL1644265 0.82 GRM5 (0.51) MKNK1MKNK2MAPK3MAPK8MAPK9
SCHEMBL1644264 0.82 GRM5 (0.51) MKNK1MKNK2MAPK3MAPK8MAPK9
SCHEMBL6886534 0.81 KDM4E (0.56) ADORA2AADORA2BADORA1
SCHEMBL6886667 0.80 ADORA1 (0.60) MKNK1MKNK2MAPK8MAPK9ADORA2A
SCHEMBL6884017 0.80 ADORA1 (0.60) MKNK1MKNK2MAPK8MAPK9ADORA2A
SCHEMBL6887143 0.80 KDM4E (0.59) ADORA1
SCHEMBL28314223 0.79 KDM4E (0.58) MKNK1MKNK2GBA1MAPK8MAPK9
SCHEMBL28386712 0.78 MAPK8 (0.50) MKNK1MKNK2MAPK3MAPK8MAPK9
SCHEMBL13062703 0.77 HDAC1 (0.56) MKNK1MAPK8ADORA2AADORA2BADORA1

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-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 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-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 MKNK1 1697/4885MKNK2 1678/4885GBA1 2170/4885

“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.