SCHEMBL1818581

SCHEMBL1818581

CC(=O)Nc1cc(C#N)c(SCc2ccccc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.51
GSK3A P49840 3/20 0.51
AURKA O14965 1/20 0.51
ADORA3 P0DMS8 6/20 0.50
XDH P47989 1/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.45
EGFR P00533 1/20 0.45
MEN1 O00255 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ADORA1 P30542 3/20 0.43
MAPK14 Q16539 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL1819392 0.81 KMT2A (0.53) GSK3BGSK3AAURKAADORA3ALDH1A1
SCHEMBL1819592 0.81 GSK3B (0.51) GSK3BGSK3AAURKAADORA3SMN1; SMN2
SCHEMBL1818421 0.80 GSK3A (0.44) GSK3BGSK3AAURKAADORA3XDH
SCHEMBL1815790 0.74 POLB (0.51) XDHALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL1819051 0.69 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TDP1KMT2AMAOA
SCHEMBL15984823 0.69 MAPT (0.43) GSK3BGSK3AAURKAADORA3ALDH1A1
SCHEMBL22637319 0.68 ALDH1A1 (0.56) XDHALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL20861501 0.68 PTK2 (0.49) ALDH1A1EGFRL3MBTL1
SCHEMBL10470690 0.68 MAOA (0.50) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
Hydrochloric Acid SCHEMBL23093043 0.68 BACE1 (0.46) XDHALDH1A1SMN1; SMN2KMT2AMEN1

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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD GSK3B 666/4885GSK3A 1517/4885AURKA 1963/4885

“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.