SCHEMBL2631758

SCHEMBL2631758

Cc1ccc(-c2nc(O[C@@H](C)CO)nc3sc(C(N)=O)c(N)c23)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.65
LIMK1 P53667 2/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
IKBKB O14920 13/20 0.43
CHUK O15111 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
BTK Q06187 1/20 0.40
CDK8 P49336 1/20 0.40
CDK19 Q9BWU1 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
SCHEMBL2132933 0.87 LIMK1 (0.51) BRAFLIMK1MEN1ALDH1A1GAA
SCHEMBL2131649 0.87 LIMK1 (0.51) BRAFLIMK1MEN1ALDH1A1GAA
SCHEMBL2132227 0.85 LIMK1 (0.56) BRAFLIMK1MEN1ALDH1A1GAA
SCHEMBL2133493 0.84 IKBKB (0.54) BRAFLIMK1MEN1ALDH1A1GAA
SCHEMBL2133896 0.83 IKBKB (0.55) BRAFLIMK1MEN1ALDH1A1GAA
SCHEMBL2134347 0.83 LIMK1 (0.47) BRAFLIMK1MEN1ALDH1A1GAA
SCHEMBL2132331 0.83 LIMK1 (0.47) BRAFLIMK1MEN1ALDH1A1GAA
SCHEMBL1176342 0.80 LIMK1 (0.60) BRAFLIMK1MEN1ALDH1A1GAA
SCHEMBL2133907 0.79 LIMK1 (0.48) BRAFLIMK1MEN1ALDH1A1GAA
SCHEMBL4902994 0.79 BRAF (1.00) BRAFLIMK1PDE4APDE4BPDE4C

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-20120101095-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-04-26 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-20120101095-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS TGFBR1, TGFBR2, TGFB1 BRAF 153/4885LIMK1 1506/4885MEN1 3091/4885

“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.