Sugi Predict

Sugi Predict / Compounds / SCHEMBL3489031

SCHEMBL3489031

SCHEMBL3489031

COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3ccc(NC(=O)CBr)c(C(=O)N(C)C)c3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.43
▸ ABL1 P00519 1/20 0.37
▸ MAPT P10636 5/20 0.35
▸ TP53 P04637 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ AAK1 Q2M2I8 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ IGF1R P08069 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL3489503 0.89 MAP4K1 (0.42) MAP4K1ABL1AAK1IGF1R
SCHEMBL3489317 0.88 MAP4K1 (0.45) MAP4K1ABL1ALDH1A1IGF1R
SCHEMBL12343655 0.87 MAP4K1 (0.40) MAP4K1ABL1MAPTALDH1A1AAK1
SCHEMBL13607385 0.86 MAP4K1 (0.45) MAP4K1ABL1ALDH1A1IGF1R
SCHEMBL3488690 0.86 MAP4K1 (0.56) MAP4K1ABL1ALDH1A1
SCHEMBL3489488 0.86 MAP4K1 (0.46) MAP4K1ABL1MAPTALDH1A1MEN1
SCHEMBL12343389 0.84 MAP4K1 (0.35) MAP4K1ABL1MAPTTP53ALDH1A1
SCHEMBL3490227 0.84 MAP4K1 (0.42) MAP4K1ABL1MAPTLMNAIGF1R
SCHEMBL12343630 0.83 MERTK (0.40) MAP4K1ABL1ALDH1A1LMNANPSR1
SCHEMBL3490395 0.83 MERTK (0.40) MAP4K1ABL1ALDH1A1LMNANPSR1

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 8 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
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
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 MAP4K1 19/4885ABL1 141/4885MAPT 3150/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 MAP4K1 19/4885ABL1 141/4885MAPT 3150/4885

“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.