SCHEMBL2132946

SCHEMBL2132946

Cc1cccc(-c2nc(OC(C)c3cc[nH]n3)nc3sc(C(N)=O)c(N)c23)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.45
IKBKB O14920 16/20 0.41
LIMK1 P53667 4/20 0.39
CHUK O15111 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
BTK Q06187 1/20 0.39
CDK8 P49336 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL2134413 0.86 BRAF (0.44) BRAFIKBKBLIMK1CHUKPRKACA
SCHEMBL2131263 0.84 BRAF (0.45) BRAFIKBKBLIMK1CHUKPRKACA
SCHEMBL2131284 0.83 BRAF (0.56) BRAFIKBKBLIMK1PDE4APDE4B
SCHEMBL2134347 0.82 LIMK1 (0.47) BRAFIKBKBLIMK1CHUKPRKACA
SCHEMBL2133783 0.82 BRAF (0.40) BRAFIKBKBCDK8CDK19
SCHEMBL2130627 0.81 IKBKB (0.49) BRAFIKBKBLIMK1CHUKPRKACA
SCHEMBL2133506 0.77 IKBKB (0.54) BRAFIKBKBLIMK1CHUKPRKACA
SCHEMBL1176204 0.77 BRAF (0.55) BRAFIKBKBLIMK1CHUKPRKACA
SCHEMBL2134604 0.76 BRAF (0.45) BRAFIKBKBLIMK1CHUKPRKACA
SCHEMBL2132343 0.74 IKBKB (0.50) IKBKBLIMK1CHUKPRKACAPRKACG

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 4 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 claimed
US-20120101095-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-04-26 US claimed
WO-2010149257-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GMBH (DE) 2010-12-29 WO claimed
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 153/4885IKBKB 100/4885LIMK1 1506/4885

“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.