SCHEMBL2134865

SCHEMBL2134865

CCOC(=O)c1sc2nc(SC)nc(-c3cccc(C)n3)c2c1N

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.54
▸ MAPT P10636 7/20 0.54
▸ ALDH1A1 P00352 6/20 0.54
▸ HPGD P15428 6/20 0.54
▸ GAA P10253 4/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ GLA P06280 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ CASP1 P29466 2/20 0.54
▸ CASP7 P55210 2/20 0.54
▸ ATM Q13315 1/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ LHCGR P22888 7/20 0.52
▸ TSHR P16473 2/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ IKBKB O14920 1/20 0.46
▸ POLB P06746 3/20 0.45
▸ MEN1 O00255 2/20 0.45

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
SCHEMBL13013489 0.90 KDM4E (0.46) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL6218896 0.88 LMNA (0.53) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL2135329 0.86 LHCGR (0.50) KDM4EMAPTALDH1A1LHCGRTSHR
SCHEMBL2132343 0.86 IKBKB (0.50) LHCGRTSHRNPC1RAB9AIKBKB
SCHEMBL6216192 0.85 ALDH1A1 (0.62) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL4431522 0.84 LHCGR (0.62) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL2132360 0.83 KDM4E (0.53) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL6217915 0.83 KDM4E (0.53) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL6217590 0.82 LHCGR (0.53) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL4327613 0.82 LHCGR (0.77) KDM4EMAPTALDH1A1HPGDGAA

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 5 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

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 KDM4E 1619/4885MAPT 4162/4885ALDH1A1 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.

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