Sugi Predict

Sugi Predict / Compounds / SCHEMBL3489488

SCHEMBL3489488

SCHEMBL3489488

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 4/20 0.46
▸ ABL1 P00519 2/20 0.38
▸ CAMKK2 Q96RR4 1/20 0.37
▸ NPC1 O15118 1/20 0.34
▸ CYP3A4 P08684 3/20 0.33
▸ AXL P30530 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ SLC6A9 P48067 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CLK4 Q9HAZ1 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
SCHEMBL3488690 0.92 MAP4K1 (0.56) MAP4K1ABL1CYP3A4AXLTYRO3
SCHEMBL3489317 0.90 MAP4K1 (0.45) MAP4K1ABL1CYP3A4AXLTYRO3
SCHEMBL13607385 0.90 MAP4K1 (0.45) MAP4K1ABL1CYP3A4AXLTYRO3
SCHEMBL3490227 0.87 MAP4K1 (0.42) MAP4K1ABL1AXLTYRO3MERTK
SCHEMBL3489031 0.86 MAP4K1 (0.43) MAP4K1ABL1ALDH1A1KMT2AMEN1
SCHEMBL3489403 0.85 CHEK1 (0.38) MAP4K1CAMKK2CYP3A4AXLTYRO3
SCHEMBL3489503 0.85 MAP4K1 (0.42) MAP4K1ABL1
SCHEMBL3488256 0.84 ABL1 (0.43) MAP4K1ABL1CYP3A4SLC6A9CYP1A2
SCHEMBL3490316 0.84 MAP4K1 (0.41) MAP4K1ABL1CYP3A4AXLTYRO3
SCHEMBL12343456 0.84 MAP4K1 (0.57) MAP4K1ABL1CYP3A4AXLTYRO3

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 MAP4K1 19/4885ABL1 141/4885CAMKK2 107/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 MAP4K1 19/4885ABL1 141/4885CAMKK2 107/4885

“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.