SCHEMBL3890176

SCHEMBL3890176

CON(C)C(=O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA9 Q16790 4/20 0.41
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PREP P48147 4/20 0.36
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
NOS2 P35228 1/20 0.33
BRAF P15056 1/20 0.33
MLYCD O95822 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6519025 0.81 KDM4E (0.50) CA12CA1CA9KDM4EGAA
SCHEMBL6211617 0.81 KDM4E (0.47) CA12CA1CA9PREPKDM4E
SCHEMBL3896612 0.81 CA12 (0.38) CA12CA1CA9CLK1DYRK1A
SCHEMBL3469683 0.81 CLK1 (0.55) CLK1DYRK1ADYRK1BHSP90AA1NOS2
SCHEMBL4469822 0.78 MLYCD (0.49) CA12CA1CA9CLK1DYRK1A
SCHEMBL1391609 0.77 CLK1 (0.69) CA12CA1CA9CLK1DYRK1A
SCHEMBL3904408 0.76 MAPT (0.52) CA12CA1CA9NOS2BRAF
SCHEMBL1391096 0.76 CLK1 (0.57) CA12CA1CA9CLK1DYRK1A
SCHEMBL12653494 0.75 CLK1 (0.37) CLK1DYRK1ADYRK1BMLYCDKDM4E
SCHEMBL28132 0.75 KDM4E (0.54) CLK1DYRK1ADYRK1BKDM4EGAA

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-7547710-B2 Fused heterocyclic compounds as peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-16 US disclosed
EP-1527049-B8 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-10-29 EP disclosed
EP-1527049-B1 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-07-16 EP disclosed
US-20060135530-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1527049-A2 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2005-05-04 EP disclosed
WO-2004014860-A2 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 WO 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-20060135530-A1 Fused heterocyclic compounds NR4A3, DPP3, INSR CA12 1427/4885CA1 825/4885CA9 648/4885

“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.