SCHEMBL1269211

SCHEMBL1269211

O=C(NCCc1ccccc1)Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
HTR6 P50406 6/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.40
REN P00797 2/20 0.40
ALDH1A1 P00352 2/20 0.40
AURKB Q96GD4 2/20 0.40
NTRK1 P04629 1/20 0.40
YES1 P07947 1/20 0.40
PIM1 P11309 1/20 0.40
MEN1 O00255 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 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
SCHEMBL12898208 0.94 KDM4E (0.42) MAPK1HTR6LMNAHTTKMT2A
SCHEMBL12898206 0.94 MAPK1 (0.42) MAPK1HTR6LMNAHTTREN
SCHEMBL1268088 0.90 MAPK1 (0.46) MAPK1HTR6LMNAHTTKMT2A
SCHEMBL1269263 0.90 CNR1 (0.43) MAPK1HTR6LMNAHTTKMT2A
SCHEMBL12898310 0.90 HTR6 (0.44) MAPK1HTR6LMNAHTTKMT2A
SCHEMBL12898308 0.90 HTR6 (0.44) MAPK1HTR6LMNAHTTKMT2A
SCHEMBL1268202 0.87 HTR6 (0.42) MAPK1HTR6LMNAHTTKMT2A
SCHEMBL12898168 0.87 RAB9A (0.46) HTR6LMNAHTTKMT2AREN
SCHEMBL1269217 0.86 MAPK1 (0.48) MAPK1HTR6LMNAHTT
SCHEMBL1268437 0.85 MAPK1 (0.41) MAPK1HTR6LMNAHTTKMT2A

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 3 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
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 MAPK1 276/4885HTR6 3561/4885LMNA 1199/4885

“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.