SCHEMBL3489519

SCHEMBL3489519

COC(=O)c1cc(C(=O)N(C)C)cc(-c2cnc3c(c2)c(-c2ccccc2OC)nn3COCC[Si](C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.44
MAP4K1 Q92918 1/20 0.41
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
SGK1 O00141 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
ALOX15 P16050 1/20 0.34
DGAT1 O75907 2/20 0.34
FYN P06241 1/20 0.34
MAP3K11 Q16584 2/20 0.34
IGF1R P08069 2/20 0.33
AXL P30530 2/20 0.33

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
SCHEMBL3488256 0.93 ABL1 (0.43) ABL1MAP4K1CYP1A2CYP3A4CYP2D6
SCHEMBL3489403 0.85 CHEK1 (0.38) MAP4K1CYP1A2CYP3A4CYP2D6CLK4
SCHEMBL3490227 0.84 MAP4K1 (0.42) ABL1MAP4K1DGAT1IGF1RAXL
SCHEMBL13607385 0.84 MAP4K1 (0.45) ABL1MAP4K1CYP1A2CYP3A4CYP2D6
SCHEMBL5068728 0.84 ABL1 (0.38) ABL1MAP4K1CYP3A4DGAT1FYN
SCHEMBL3488690 0.84 MAP4K1 (0.56) ABL1MAP4K1CYP1A2CYP3A4CYP2D6
SCHEMBL3489317 0.84 MAP4K1 (0.45) ABL1MAP4K1CYP1A2CYP3A4CYP2D6
SCHEMBL3489488 0.84 MAP4K1 (0.46) ABL1MAP4K1CYP1A2CYP3A4CYP2D6
SCHEMBL3373250 0.82 ABL1 (0.40) ABL1DGAT1
SCHEMBL4359217 0.82 FYN (0.37) ABL1MAP4K1FYNAXLNEK1

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 10 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-8242280-B2 morpholin-4-yl-{3-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl-phenyl}-methanone; FMS-like tyrosine kinase 3 (FLT3), is implicated in cancers, including leukemia, such as acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL), and myelodysplasia SGX PHARMACEUTICALS, INC. (US) 2012-08-14 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
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 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 (3 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 ABL1 141/4885MAP4K1 19/4885CYP1A2 4069/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 ABL1 141/4885MAP4K1 19/4885CYP1A2 4069/4885
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, MAP3K19, MAP4K2 ABL1 110/4885MAP4K1 17/4885CYP1A2 3975/4885

“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.