SCHEMBL2133302

SCHEMBL2133302

Cc1ccc(-c2nc([S+](C)[O-])nc3sc(C(N)=O)c(N)c23)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 4/20 0.54
HPGD P15428 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
IKBKB O14920 10/20 0.44
CHUK O15111 1/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
BTK Q06187 1/20 0.44
EEF2K O00418 3/20 0.40
BRAF P15056 2/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL1176342 0.84 LIMK1 (0.60) LIMK1HPGDALDH1A1GAAMEN1
SCHEMBL1176017 0.81 LIMK1 (0.60) LIMK1HPGDALDH1A1GAAMEN1
SCHEMBL2132227 0.81 LIMK1 (0.56) LIMK1HPGDALDH1A1GAAMEN1
SCHEMBL1176597 0.81 LIMK1 (0.59) LIMK1HPGDALDH1A1GAAMEN1
SCHEMBL1176165 0.81 LIMK1 (0.56) LIMK1HPGDALDH1A1GAAMEN1
SCHEMBL1175976 0.80 LIMK1 (0.55) LIMK1HPGDALDH1A1GAAMEN1
SCHEMBL1176092 0.79 HPGD (0.56) LIMK1HPGDALDH1A1GAAMEN1
SCHEMBL2134327 0.79 IKBKB (0.47) LIMK1HPGDIKBKBCHUKPRKACA
SCHEMBL2133493 0.76 IKBKB (0.54) LIMK1HPGDALDH1A1GAAMEN1
SCHEMBL4907171 0.76 BRAF (0.71) LIMK1ALDH1A1IKBKBCHUKPRKACA

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
EP-2445916-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS Merck Patent GmbH (DE) 2012-05-02 EP disclosed
US-20120101095-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-04-26 US disclosed
US-20120101095-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-04-26 US disclosed
US-20120101095-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-04-26 US disclosed
WO-2010149257-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GMBH (DE) 2010-12-29 WO disclosed
WO-2010149257-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GMBH (DE) 2010-12-29 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-20120101095-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS TGFBR1, TGFBR2, TGFB1 LIMK1 1506/4885HPGD 1700/4885ALDH1A1 323/4885

“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.