SCHEMBL12898162

SCHEMBL12898162

O=C(Cc1ccccc1)Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
TP53 P04637 2/20 0.46
HTR6 P50406 6/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 1/20 0.45
WNT3A P56704 1/20 0.43
RIOK2 Q9BVS4 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
REN P00797 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPK14 Q16539 1/20 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
SCHEMBL12898166 0.93 MAPK14 (0.46) POLBTP53HTR6MEN1KMT2A
SCHEMBL12898168 0.90 RAB9A (0.46) TP53HTR6MEN1KMT2ARAB9A
SCHEMBL12898178 0.87 POLB (0.51) POLBTP53HTR6MEN1KMT2A
SCHEMBL12898169 0.86 LMNA (0.50) POLBTP53HTR6MEN1KMT2A
SCHEMBL1268088 0.86 MAPK1 (0.46) POLBHTR6MEN1KMT2AREN
SCHEMBL12898215 0.85 HTR6 (0.44) POLBHTR6MEN1KMT2AREN
SCHEMBL1269211 0.84 MAPK1 (0.47) HTR6MEN1KMT2AREN
SCHEMBL12898182 0.84 HTR6 (0.43) POLBTP53HTR6MEN1KMT2A
SCHEMBL12898170 0.84 ALDH1A1 (0.55) POLBTP53HTR6
SCHEMBL1268273 0.84 HTR6 (0.42) POLBTP53HTR6MEN1KMT2A

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 POLB 1772/4885TP53 1224/4885HTR6 3561/4885

“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.