SCHEMBL12898166

SCHEMBL12898166

O=C(Cc1ccc(F)cc1)Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.46
POLB P06746 2/20 0.45
GSK3B P49841 1/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43
HTR6 P50406 2/20 0.42
WNT3A P56704 1/20 0.42
RIOK2 Q9BVS4 1/20 0.42
LMNA P02545 1/20 0.42
KCNQ2 O43526 1/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL12898162 0.93 POLB (0.52) MAPK14POLBMEN1RAB9AKMT2A
SCHEMBL12898198 0.87 MAPK1 (0.47) POLBMEN1RAB9AKMT2AMAPT
SCHEMBL12898206 0.86 MAPK1 (0.42) RAB9AMAPTHTR6LMNATP53
SCHEMBL12898159 0.86 HTR1F (0.46) MAPK14POLBRAB9AHTR6
SCHEMBL12898189 0.85 TP53 (0.48) MEN1RAB9AKMT2AHTR6LMNA
SCHEMBL12898168 0.84 RAB9A (0.46) MEN1RAB9AKMT2AHTR6LMNA
SCHEMBL12898178 0.83 POLB (0.51) POLBMEN1RAB9AKMT2AMAPT
SCHEMBL12898169 0.82 LMNA (0.50) POLBMEN1RAB9AKMT2AMAPT
SCHEMBL12898182 0.80 HTR6 (0.43) POLBMEN1RAB9AKMT2AHTR6
SCHEMBL1268088 0.80 MAPK1 (0.46) POLBMEN1KMT2AHTR6LMNA

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-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 US disclosed
US-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP MAPK14 525/4885POLB 1772/4885GSK3B 1/4885

“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.