SCHEMBL1269263

SCHEMBL1269263

O=C(NCCc1ccccn1)Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
MAPK1 P28482 3/20 0.42
HTR6 P50406 6/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HSD11B1 P28845 1/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL1268378 0.91 NPC1 (0.47) HTR6ALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL1269211 0.90 MAPK1 (0.47) MAPK1HTR6ALDH1A1HTTMEN1
SCHEMBL1268273 0.87 HTR6 (0.42) MAPK1HTR6ALDH1A1SMN1; SMN2HTT
SCHEMBL12898308 0.87 HTR6 (0.44) MAPK1HTR6ALDH1A1SMN1; SMN2HTT
SCHEMBL12898310 0.87 HTR6 (0.44) MAPK1HTR6ALDH1A1HTTMEN1
SCHEMBL12898208 0.86 KDM4E (0.42) CNR1MAPK1HTR6ALDH1A1SMN1; SMN2
SCHEMBL12898206 0.86 MAPK1 (0.42) MAPK1HTR6ALDH1A1HTTLMNA
SCHEMBL1268202 0.85 HTR6 (0.42) MAPK1HTR6ALDH1A1SMN1; SMN2HTT
SCHEMBL1268340 0.84 KMT2A (0.46) SMN1; SMN2HTTMEN1KMT2A
SCHEMBL1268088 0.84 MAPK1 (0.46) MAPK1HTR6HTTMEN1KMT2A

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 1 patent. 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

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 CNR1 4569/4885MAPK1 276/4885HTR6 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.