SCHEMBL3140635

SCHEMBL3140635

O=C1CNC(=O)N1Cc1cccc(B(O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
KMT2A Q03164 2/20 0.49
ENPP2 Q13822 3/20 0.46
TNKS O95271 1/20 0.43
LPL P06858 2/20 0.40
LIPG Q9Y5X9 2/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
GRM2 Q14416 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.36
ABL1 P00519 1/20 0.36
LMNA P02545 1/20 0.36
RIN1 Q13671 1/20 0.36

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
SCHEMBL4655351 0.82 ENPP2 (0.51) KMT2AENPP2LPLLIPGMEN1
SCHEMBL30361151 0.81 GSK3A (0.66) GSK3AGSK3BKMT2ATNKSMEN1
SCHEMBL6605903 0.78 GSK3A (0.66) GSK3AGSK3BKMT2ATNKSHTR1D
SCHEMBL3031538 0.78 GSK3A (0.66) GSK3AGSK3BKMT2ATNKSHTR1D
SCHEMBL5182321 0.78 GSK3A (0.66) GSK3AGSK3BKMT2ATNKSHTR1D
SCHEMBL3318940 0.76 GSK3A (1.00) GSK3AGSK3BKMT2AMEN1TSHR
SCHEMBL15651790 0.75 GSK3A (0.62) GSK3AGSK3BKMT2ATNKSHTR1D
SCHEMBL3041858 0.75 POLB (0.62) KMT2AENPP2LPLLIPGMEN1
SCHEMBL8079266 0.72 GSK3A (0.66) GSK3AGSK3BKMT2AHTR1DHTR1B
SCHEMBL3140629 0.71 ENPP2 (0.46) KMT2AENPP2LPLLIPGMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 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 (2 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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 GSK3A 217/4885GSK3B 200/4885KMT2A 1184/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 GSK3A 217/4885GSK3B 200/4885KMT2A 1184/4885

“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.