SCHEMBL3489783

SCHEMBL3489783

COc1ccccc1-c1nn(COC(=O)C(C)(C)C)c2ccc(Br)cc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.39
IDO1 P14902 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GSK3B P49841 1/20 0.38
QPCT Q16769 1/20 0.38
ELANE P08246 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
PTGFR P43088 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35

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
SCHEMBL3490148 0.84 MERTK (0.38) SMN1; SMN2ALDH1A1HPGD
SCHEMBL3489045 0.79 MAP4K1 (0.51) TSHRHSD17B10ALDH1A1MAPK1
SCHEMBL3490706 0.72 AKT1 (0.33) IDO1PTGFRMAPTALDH1A1HPGD
SCHEMBL5064057 0.71 DGAT1 (0.40) GSK3B
SCHEMBL3488673 0.68 MAP4K1 (0.56) TSHRHSD17B10ALDH1A1MAPK1
SCHEMBL15631848 0.67 KDM4E (0.69) TSHRHSD17B10MAPTSMN1; SMN2ALDH1A1
SCHEMBL30339952 0.65 MAPT (0.43) TSHRHSD17B10ELANEPTGFRMAPT
SCHEMBL5386738 0.64 PDE1A (0.39) SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL3850495 0.63 SIK1 (0.42) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3371838 0.63 MERTK (0.40) TSHRHSD17B10GSK3BPTGDR2MAPT

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
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
EP-2134179-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
WO-2008124850-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 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 (2 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-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 KRAS 435/4885IDO1 3942/4885TSHR 1726/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 KRAS 435/4885IDO1 3942/4885TSHR 1726/4885

“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.